
 N-1H-Benzimidazol-2-yl-4-nitrobenzamide

 31 33  0  0  0  0  0  0  0  0999 V2000
   -4.7992    3.7342    4.9079 C   0  0  0  0  0
   -5.2646    2.6089    5.5932 C   0  0  0  0  0
   -5.0770    1.3193    5.0749 C   0  0  0  0  0
   -4.3918    1.1767    3.8596 C   0  0  0  0  0
   -3.9290    2.3180    3.2133 C   0  0  0  0  0
   -4.1227    3.6146    3.6895 C   0  0  0  0  0
   -3.2833    1.8326    2.1132 N   0  0  0  0  0
   -3.3573    0.4638    2.1302 C   0  0  0  0  0
   -4.0583    0.0370    3.1525 N   0  0  0  0  0
   -2.7634   -0.3396    1.1825 N   0  0  0  0  0
   -1.9353    0.1960    0.2172 C   0  0  0  0  0
   -1.6226    1.3860    0.1747 O   0  0  0  0  0
   -1.4132   -0.7071   -0.8521 C   0  0  0  0  0
   -0.5140   -0.1417   -1.7794 C   0  0  0  0  0
   -0.0738   -0.8666   -2.8879 C   0  0  0  0  0
   -0.5148   -2.1773   -3.0716 C   0  0  0  0  0
   -1.3785   -2.7709   -2.1365 C   0  0  0  0  0
   -1.8179   -2.0383   -1.0243 C   0  0  0  0  0
   -0.1131   -2.9137   -4.2766 N   0  0  0  0  0
   -0.5447   -4.0681   -4.4126 O   0  0  0  0  0
    0.6267   -2.3372   -5.0853 O   0  0  0  0  0
   -4.9589    4.7257    5.3302 H   0  0  0  0  0
   -5.7737    2.7354    6.5460 H   0  0  0  0  0
   -5.4347    0.4465    5.6065 H   0  0  0  0  0
   -3.7540    4.4836    3.1568 H   0  0  0  0  0
   -2.7754    2.3590    1.4130 H   0  0  0  0  0
   -2.9437   -1.3252    1.2922 H   0  0  0  0  0
   -0.1815    0.8880   -1.6587 H   0  0  0  0  0
    0.5976   -0.3828   -3.5979 H   0  0  0  0  0
   -1.7188   -3.7966   -2.2657 H   0  0  0  0  0
   -2.5059   -2.5257   -0.3387 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 29  1  0  0  0
 16 17  1  0  0  0
 16 19  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-Benzimidazol-2-yl-4-nitrobenzamide

>  <PubChem CID>
3761604

>  <Formula>
C14H10N4O3

>  <Molecular Weight>
282.259000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-4-nitrobenzamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

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

>  <InChI Key>
ATJLQYUJQCDLFC-UHFFFAOYSA-N

