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

Systemtic Name: 2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-4-nitro-phenolate Openeye Name: 2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-4-nitro-phenolate CAS Name: 2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-4-nitrophenolate IUPAC Name: 2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-4-nitrophenolate Traditional Name: 2-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-4-nitro-phenolate Formula: C17H11N4O3- MolecularWeight: 319.29424

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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(=C/C3=C(C=CC(=C3)[N+](=O)[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(21(23)24)3-5-16(11)22/h2-8,22H,1H3,(H,19,20)/p-1/b12-7+