4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C16H9BrN3O4- MolecularWeight: 387.16436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H10BrN3O4/c17-12-2-1-3-13(8-12)19-16(22)11(9-18)6-10-4-5-15(21)14(7-10)20(23)24/h1-8,21H,(H,19,22)/p-1/b11-6+