Molecule FYI-1002434

A

Molecule Summary:

ID: FYI-1002434
Names:
InChIKey: SEUGNVHJYJPYBB-UHFFFAOYSA-O
SMILES: [NH2+]=C(NNc1ccc(N(=O)=O)cc1)c2ccccc2

Received at FYIcenter.com on: 2023-03-21

Molecule ID: FYI-1002434 Edit

Molecule Structure InChIKey: SEUGNVHJYJPYBB-UHFFFAOYSA-O

Molecule Structure SMILES String: [NH2+]=C(NNc1ccc(N(=O)=O)cc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002434
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    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
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002434-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    6.3053    0.0062   -0.0268 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4838    2.0318   -0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -1.2949    0.1248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990   -0.5230    0.0573 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5313   -2.3863    0.2118 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307    0.7929   -0.1033 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4270   -0.7733    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902   -0.1830    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3404   -1.0566    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -1.6285    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218    0.6008   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0139    0.2645   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -1.1097    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152    1.1198   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4115   -0.3257   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6785    0.8022    1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5213    0.5167   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7883    1.6445    0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7096    1.5017   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307   -2.2976    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432    0.4863   -0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876   -2.7013    0.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7935    1.2983   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515   -1.8058    0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0293    2.1953   -0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2739   -1.0880   -1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684    0.9214    1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2383    0.4059   -1.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9353    2.4113    1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5736    2.1576   -0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4677   -2.7745    0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501   -3.0287    0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  3  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
$$$$

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2023-04-05, 1560👍, 0💬