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

Systemtic Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-4-bromanyl-6-nitro-phenolate Openeye Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-bromo-6-nitro-phenolate CAS Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-bromo-6-nitrophenolate IUPAC Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-4-bromo-6-nitrophenolate Traditional Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-4-bromo-6-nitro-phenolate Formula: C16H8BrN4O3- MolecularWeight: 384.16372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN4O3/c17-11-6-9(15(22)14(7-11)21(23)24)5-10(8-18)16-19-12-3-1-2-4-13(12)20-16/h1-7,22H,(H,19,20)/p-1/b10-5+