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

Systemtic Name: 4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(1-methyl-2-benzimidazolyl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]-2-nitro-phenolate Formula: C17H11N4O3- MolecularWeight: 319.29424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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