
 CHEMBL3326175

 50 53  0  0  0  0  0  0  0  0999 V2000
   -3.2897   -0.9578    0.2802 C   0  0  0  0  0
   -2.6432    0.1092   -0.3353 C   0  0  0  0  0
   -1.2550    0.2263   -0.2446 C   0  0  0  0  0
   -0.4955   -0.7158    0.4709 C   0  0  0  0  0
   -1.1597   -1.7781    1.0929 C   0  0  0  0  0
   -2.5496   -1.9010    0.9916 C   0  0  0  0  0
    0.9542   -0.5782    0.5416 C   0  0  0  0  0
    1.5540    0.6543    0.6897 C   0  0  0  0  0
    2.8967    0.5488    0.6432 O   0  0  0  0  0
    3.2094   -0.7787    0.4844 C   0  0  0  0  0
    2.0346   -1.5319    0.4856 C   0  0  0  0  0
    1.9946   -2.9839    0.3441 C   0  0  0  0  0
    2.7580   -3.8101    1.1813 C   0  0  0  0  0
    2.7166   -5.2004    1.0445 C   0  0  0  0  0
    1.8877   -5.7822    0.0892 C   0  0  0  0  0
    1.1058   -4.9744   -0.7339 C   0  0  0  0  0
    1.1647   -3.5826   -0.6130 C   0  0  0  0  0
    4.6189   -1.0931    0.3278 C   0  0  0  0  0
    5.1133   -2.2173    0.2666 O   0  0  0  0  0
    5.4191    0.0327    0.2342 N   0  0  0  0  0
    6.7981   -0.1002    0.0668 N   0  0  0  0  0
    7.5507    1.0559    0.0436 C   0  0  0  0  0
    7.0347    2.1687    0.1353 O   0  0  0  0  0
    9.0319    0.9260   -0.0974 C   0  0  0  0  0
    9.6837   -0.2941   -0.3159 C   0  0  0  0  0
   11.0841   -0.3197   -0.4596 C   0  0  0  0  0
   11.8348    0.8604   -0.3969 C   0  0  0  0  0
   11.1854    2.0690   -0.1657 C   0  0  0  0  0
    9.7959    2.1022   -0.0191 C   0  0  0  0  0
   13.1912    0.9412   -0.5441 O   0  0  0  0  0
   11.7418   -1.6085   -0.6675 N   0  0  0  0  0
   12.8884   -1.5930   -1.1420 O   0  0  0  0  0
   11.1194   -2.6318   -0.3532 O   0  0  0  0  0
   -4.3696   -1.0548    0.2045 H   0  0  0  0  0
   -3.2151    0.8475   -0.8915 H   0  0  0  0  0
   -0.7739    1.0590   -0.7533 H   0  0  0  0  0
   -0.6087   -2.5222    1.6631 H   0  0  0  0  0
   -3.0553   -2.7362    1.4697 H   0  0  0  0  0
    1.1742    1.6605    0.8076 H   0  0  0  0  0
    3.4092   -3.3832    1.9408 H   0  0  0  0  0
    3.3375   -5.8253    1.6816 H   0  0  0  0  0
    1.8543   -6.8635   -0.0156 H   0  0  0  0  0
    0.4524   -5.4267   -1.4754 H   0  0  0  0  0
    0.5522   -2.9734   -1.2736 H   0  0  0  0  0
    5.0303    0.9750    0.2735 H   0  0  0  0  0
    7.1478   -1.0541    0.0501 H   0  0  0  0  0
    9.1270   -1.2231   -0.3898 H   0  0  0  0  0
   11.7578    2.9925   -0.1055 H   0  0  0  0  0
    9.3088    3.0622    0.1534 H   0  0  0  0  0
   13.5487    0.0842   -0.8596 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
 30 50  1  0  0  0
 31 33  1  0  0  0
 31 32  2  0  0  0
M  CHG  2  31   1  33  -1
M  END

>  <Chemical Name>
CHEMBL3326175

>  <PubChem CID>
11532336

>  <Formula>
C24H17N3O6

>  <Molecular Weight>
443.415000

>  <IUPAC Name>
N'-(4-hydroxy-3-nitrobenzoyl)-3,4-diphenylfuran-2-carbohydrazide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=COC(=C2C3=CC=CC=C3)C(=O)NNC(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=COC(=C2C3=CC=CC=C3)C(=O)NNC(=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C24H17N3O6/c28-20-12-11-17(13-19(20)27(31)32)23(29)25-26-24(30)22-21(16-9-5-2-6-10-16)18(14-33-22)15-7-3-1-4-8-15/h1-14,28H,(H,25,29)(H,26,30)

>  <InChI Key>
HWMNYSSRAMHIFI-UHFFFAOYSA-N

