[2-bromanyl-4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] benzoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-methoxy-phenyl] benzoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-6-methoxy-phenyl] ester Formula: C24H16BrN3O7 MolecularWeight: 538.30374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H16BrN3O7/c1-34-21-11-14(10-18(25)22(21)35-24(31)15-5-3-2-4-6-15)9-16(13-26)23(30)27-19-8-7-17(28(32)33)12-20(19)29/h2-12,29H,1H3,(H,27,30)/b16-9+