4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C18H13N4O4- MolecularWeight: 349.32022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4/c1-10-3-4-13-14(5-10)21-18(20-13)12(9-19)6-11-7-15(22(24)25)17(23)16(8-11)26-2/h3-8,23H,1-2H3,(H,20,21)/p-1/b12-6+