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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/C#N

InChI

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