
 SMR000131790

 45 48  0  0  0  0  0  0  0  0999 V2000
   -1.9097    0.1253   -1.1804 C   0  0  0  0  0
   -1.1508    0.9279   -2.0312 C   0  0  0  0  0
    0.1865    1.1940   -1.7315 C   0  0  0  0  0
    0.7705    0.6668   -0.5707 C   0  0  0  0  0
    0.0069   -0.1533    0.2707 C   0  0  0  0  0
   -1.3317   -0.4169   -0.0310 C   0  0  0  0  0
    2.1799    0.9143   -0.2861 C   0  0  0  0  0
    3.0992    0.0460   -0.7410 C   0  0  0  0  0
    4.3984    0.5666   -0.4227 C   0  0  0  0  0
    5.5629    0.0287   -0.8123 C   0  0  0  0  0
    6.8757    0.6374   -0.5916 C   0  0  0  0  0
    7.6416    0.2985    0.5294 C   0  0  0  0  0
    8.8887    0.8973    0.7367 C   0  0  0  0  0
    9.3657    1.8399   -0.1854 C   0  0  0  0  0
    8.6048    2.1859   -1.3083 C   0  0  0  0  0
    7.3608    1.5822   -1.5067 C   0  0  0  0  0
   10.6776    2.4668    0.0253 N   0  0  0  0  0
   11.0646    3.2917   -0.8168 O   0  0  0  0  0
   11.3273    2.1244    1.0230 O   0  0  0  0  0
    4.1810    1.8345    0.3564 C   0  0  0  0  0
    5.0822    2.4946    0.8396 O   0  0  0  0  0
    2.7615    2.0077    0.3733 N   0  0  0  0  0
    2.1365    3.1615    0.9835 C   0  0  0  0  0
    2.9012    4.2042    1.5419 C   0  0  0  0  0
    2.3169    5.3446    2.1122 C   0  0  0  0  0
    0.9424    5.4745    2.1355 C   0  0  0  0  0
    0.1470    4.4718    1.6106 C   0  0  0  0  0
    0.7431    3.3295    1.0492 C   0  0  0  0  0
    0.4124    6.6024    2.6820 O   0  0  0  0  0
   -2.9511   -0.0820   -1.4150 H   0  0  0  0  0
   -1.5996    1.3448   -2.9296 H   0  0  0  0  0
    0.7694    1.8197   -2.4042 H   0  0  0  0  0
    0.4446   -0.5841    1.1680 H   0  0  0  0  0
   -1.9254   -1.0465    0.6276 H   0  0  0  0  0
    2.9113   -0.8566   -1.3019 H   0  0  0  0  0
    5.5809   -0.8926   -1.3881 H   0  0  0  0  0
    7.2671   -0.4193    1.2560 H   0  0  0  0  0
    9.4653    0.6273    1.6189 H   0  0  0  0  0
    8.9571    2.9223   -2.0271 H   0  0  0  0  0
    6.7658    1.8652   -2.3729 H   0  0  0  0  0
    3.9851    4.1885    1.5552 H   0  0  0  0  0
    2.9480    6.1251    2.5282 H   0  0  0  0  0
   -0.9358    4.5480    1.6232 H   0  0  0  0  0
    0.0509    2.5901    0.6758 H   0  0  0  0  0
   -0.5543    6.5627    2.6018 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 20  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 43  1  0  0  0
 28 44  1  0  0  0
 29 45  1  0  0  0
M  CHG  2  17   1  19  -1
M  END

>  <Chemical Name>
SMR000131790

>  <PubChem CID>
5346268

>  <Formula>
C23H16N2O4

>  <Molecular Weight>
384.391000

>  <IUPAC Name>
(3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=C(C=C4)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2C4=CC=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C23H16N2O4/c26-21-12-10-19(11-13-21)24-22(17-4-2-1-3-5-17)15-18(23(24)27)14-16-6-8-20(9-7-16)25(28)29/h1-15,26H/b18-14+

>  <InChI Key>
GQDXXWHROQBAHL-NBVRZTHBSA-N

