2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-nitro-2-oxidanyl-phenyl)propanenitrile

Systemtic Name: 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-nitro-2-oxidanyl-phenyl)propanenitrile Openeye Name: 3-(2-hydroxy-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)propanenitrile CAS Name: 3-(2-hydroxy-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)propanenitrile IUPAC Name: 3-(2-hydroxy-5-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)propanenitrile Traditional Name: 3-(2-hydroxy-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)propionitrile Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(CC3=C(C=CC(=C3)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(CC3=C(C=CC(=C3)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C17H14N4O3/c1-10-2-4-14-15(6-10)20-17(19-14)12(9-18)7-11-8-13(21(23)24)3-5-16(11)22/h2-6,8,12,22H,7H2,1H3,(H,19,20)