
 N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0471    3.3276    3.3156 C   0  0  0  0  0
   -0.2420    4.1600    2.2100 C   0  0  0  0  0
   -0.9492    3.7096    1.0876 C   0  0  0  0  0
   -1.4568    2.4021    1.0925 C   0  0  0  0  0
   -1.2391    1.5949    2.2050 C   0  0  0  0  0
   -0.5436    2.0191    3.3386 C   0  0  0  0  0
   -1.8399    0.4095    1.8766 N   0  0  0  0  0
   -2.3922    0.5389    0.6284 C   0  0  0  0  0
   -2.1780    1.7332    0.1297 N   0  0  0  0  0
   -3.0901   -0.4514   -0.0134 N   0  0  0  0  0
   -3.2461   -1.7094    0.5266 C   0  0  0  0  0
   -2.7401   -2.0884    1.5791 O   0  0  0  0  0
   -4.0804   -2.6601   -0.2615 C   0  0  0  0  0
   -5.1488   -2.2276   -1.0549 C   0  0  0  0  0
   -5.9074   -3.1798   -1.7493 C   0  0  0  0  0
   -5.6227   -4.5477   -1.6608 C   0  0  0  0  0
   -4.5679   -4.9715   -0.8541 C   0  0  0  0  0
   -3.8035   -4.0327   -0.1550 C   0  0  0  0  0
   -7.0297   -2.7367   -2.5733 N   0  0  0  0  0
   -7.3130   -3.4171   -3.5666 O   0  0  0  0  0
   -7.6172   -1.7025   -2.2241 O   0  0  0  0  0
    0.5036    3.7033    4.1761 H   0  0  0  0  0
    0.1589    5.1707    2.2186 H   0  0  0  0  0
   -1.1049    4.3511    0.2278 H   0  0  0  0  0
   -0.3916    1.3721    4.1957 H   0  0  0  0  0
   -1.8843   -0.4362    2.4307 H   0  0  0  0  0
   -3.4303   -0.1968   -0.9298 H   0  0  0  0  0
   -5.4121   -1.1740   -1.1143 H   0  0  0  0  0
   -6.2191   -5.2841   -2.1968 H   0  0  0  0  0
   -4.3425   -6.0323   -0.7617 H   0  0  0  0  0
   -2.9861   -4.3771    0.4787 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 17 18  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
M  CHG  2  19   1  21  -1
M  END

>  <Chemical Name>
N-(1H-benzo[d]imidazol-2-yl)-3-nitrobenzamide

>  <PubChem CID>
3572750

>  <Formula>
C14H10N4O3

>  <Molecular Weight>
282.259000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3-nitrobenzamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C14H10N4O3/c19-13(9-4-3-5-10(8-9)18(20)21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H2,15,16,17,19)

>  <InChI Key>
QPKROMNIEAEFQA-UHFFFAOYSA-N

