(E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(2-nitro-5-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(2-nitro-5-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(5-hydroxy-2-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-hydroxy-2-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-hydroxy-2-nitrophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-hydroxy-2-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O3/c1-10-2-4-14-15(6-10)20-17(19-14)12(9-18)7-11-8-13(22)3-5-16(11)21(23)24/h2-8,22H,1H3,(H,19,20)/b12-7+