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

Systemtic Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-bromo-4-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-])Br)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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