
 1h-naphtho[2,3-d]imidazole-4,9-dione

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.3688   -0.7024    0.0001 C   0  0  0  0  0
    3.3677    0.6928   -0.0002 C   0  0  0  0  0
    2.1607    1.3952   -0.0004 C   0  0  0  0  0
    0.9424    0.7017    0.0000 C   0  0  0  0  0
    0.9470   -0.7094    0.0002 C   0  0  0  0  0
    2.1629   -1.4055    0.0005 C   0  0  0  0  0
   -0.3309   -1.4847    0.0006 C   0  0  0  0  0
   -0.3416   -2.7087    0.0010 O   0  0  0  0  0
   -1.5141   -0.6862    0.0002 C   0  0  0  0  0
   -1.5476    0.6886   -0.0001 C   0  0  0  0  0
   -0.3336    1.4888   -0.0004 C   0  0  0  0  0
   -0.3126    2.7139   -0.0005 O   0  0  0  0  0
   -2.8489    1.1327   -0.0004 N   0  0  0  0  0
   -3.5875    0.0432   -0.0001 C   0  0  0  0  0
   -2.8196   -1.0890    0.0003 N   0  0  0  0  0
    4.3127   -1.2441    0.0003 H   0  0  0  0  0
    4.3103    1.2368   -0.0005 H   0  0  0  0  0
    2.1747    2.4846   -0.0007 H   0  0  0  0  0
    2.1764   -2.4944    0.0008 H   0  0  0  0  0
   -4.6695    0.0117   -0.0002 H   0  0  0  0  0
   -3.1488   -2.0463    0.0005 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 19  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 21  1  0  0  0
M  END

>  <Chemical Name>
1h-naphtho[2,3-d]imidazole-4,9-dione

>  <PubChem CID>
225436

>  <Formula>
C11H6N2O2

>  <Molecular Weight>
198.181000

>  <IUPAC Name>
1H-benzo[f]benzimidazole-4,9-dione

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=CN3

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=CN3

>  <InChI Std. ID>
InChI=1S/C11H6N2O2/c14-10-6-3-1-2-4-7(6)11(15)9-8(10)12-5-13-9/h1-5H,(H,12,13)

>  <InChI Key>
ABVGDXLCJRFCOD-UHFFFAOYSA-N

