Molecule Editor

Molecule ID: FYI-1007795 Edit

Molecule Structure InChIKey: ZIUZZIFALMVMJM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc1cc([N+](=O)O)ccc1N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007795
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
 30 20  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007795-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.7425   14.3889   -1.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   14.0155   -2.0995 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7288   14.9677   -2.4669 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   12.6097   -2.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   11.6797   -1.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   10.3251   -1.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487    9.8826   -2.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.5234   -1.9981 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656    7.5951   -1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360    6.3365   -1.4848 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560    5.4758   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160    5.8313    0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5854    7.1377    1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698    7.5560    2.3634 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297    8.7712    2.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    9.1050    2.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298   10.2011    3.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275   10.5236    3.3346 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4676   11.0275    4.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5457   10.2938    2.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3396   10.9612    4.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063   10.6617    4.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    9.5898    3.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6758    9.3494    3.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827    9.7474    4.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5605   10.7774    4.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3839   10.2996    3.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787   10.0943    2.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4787    9.0501    2.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473    8.0072    0.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7578   10.8184   -2.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   12.1817   -2.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778   15.7483   -2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6425    9.6175   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2265    5.1092    1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7979    7.3081    2.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4258    8.4534    2.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727   10.0641    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203   11.7917    4.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991   11.3184    5.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9818    8.8412    5.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833   10.1226    5.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2172   10.9570    5.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1189   11.7384    4.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2408    9.7471    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1511   11.0530    2.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499    8.0725    2.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8785    8.9948    1.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7824   10.4986   -2.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3526   12.8927   -2.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  2  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
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 20 41  1  0  0  0  0
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 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
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 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
$$$$