3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanenitrile

Systemtic Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanenitrile Openeye Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propanenitrile CAS Name: 3-(5-nitro-2-phenyl-1-benzimidazolyl)propanenitrile IUPAC Name: 3-(5-nitro-2-phenylbenzimidazol-1-yl)propanenitrile Traditional Name: 3-(5-nitro-2-phenyl-benzimidazol-1-yl)propionitrile Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2CCC#N)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2CCC#N)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O2/c17-9-4-10-19-15-8-7-13(20(21)22)11-14(15)18-16(19)12-5-2-1-3-6-12/h1-3,5-8,11H,4,10H2