4-(1H-benzimidazol-2-ylmethylamino)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylamino)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(1H-benzimidazol-2-ylmethylamino)-5-nitro-phthalonitrile CAS Name: 4-(1H-benzimidazol-2-ylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(1H-benzimidazol-2-ylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(1H-benzimidazol-2-ylmethylamino)-5-nitro-phthalonitrile Formula: C16H10N6O2 MolecularWeight: 318.2896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CNC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CNC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O2/c17-7-10-5-14(15(22(23)24)6-11(10)8-18)19-9-16-20-12-3-1-2-4-13(12)21-16/h1-6,19H,9H2,(H,20,21)