Molecule Editor

Molecule ID: FYI-1016840 Edit

Molecule Structure InChIKey: WIIZWVCIJKGZOK-RKDXNWHRSA-N

Molecule Structure SMILES String: O=C(N[C@H](CO)[C@H](O)c1ccc(N(=O)=O)cc1)C(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016840
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    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
    9.6995    3.5000    0.0000 C   0  0  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   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
   12.1244    2.1000    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  8 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
  7 17  1  6  0  0  0
 18  3  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016840-3D
FYIcenter.com

 32 32  0     1  0  0  0  0  0999 V2000
   -5.6487    1.8392    0.5707 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.1225   -0.7375   -0.7207 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465    0.9864    1.8314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419   -2.7009   -0.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5739    0.8392   -1.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774   -0.5362   -0.0210 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4962    1.2406   -1.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6655   -0.2485    0.3337 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1525    0.3025   -0.4580 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2974   -0.2614   -0.1484 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3259   -0.1677    1.0478 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1271   -0.0428    0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -1.4926   -1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423   -0.9644    1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    0.9908   -0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6981    0.3097   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.8493    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.1061   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882    0.1858   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0290    0.2009    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    0.6296   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648   -1.0347    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0800   -1.4876   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8072   -1.5032   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695   -0.7328    1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383   -1.7751    1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8019    1.7242   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    0.9159    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0832   -1.5844    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331    1.9267   -1.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -3.4334   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9533   -0.2982    1.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  1  0  0  0  0
  3 28  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$