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

Systemtic Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-6-nitro-phenolate Openeye Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-nitro-phenolate CAS Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-nitrophenolate IUPAC Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-nitrophenolate Traditional Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-nitro-phenolate Formula: C16H9N4O3- MolecularWeight: 305.26766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=C(C(=CC=C3)[N+](=O)[O-])[O-])/C#N

InChI

InChI=1S/C16H10N4O3/c17-9-11(16-18-12-5-1-2-6-13(12)19-16)8-10-4-3-7-14(15(10)21)20(22)23/h1-8,21H,(H,18,19)/p-1/b11-8+