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

Systemtic Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-4-nitro-phenolate Openeye Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-nitro-phenolate CAS Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-nitrophenolate IUPAC Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-nitrophenolate Traditional Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-nitro-phenolate Formula: C16H9N4O3- MolecularWeight: 305.26766

Click to see the large picture

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