[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)carbonylamino]benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)carbonylamino]benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-[(4-bromobenzoyl)amino]benzoate CAS Name: 4-[[(4-bromophenyl)-oxomethyl]amino]benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-[(4-bromobenzoyl)amino]benzoate Traditional Name: 4-[(4-bromobenzoyl)amino]benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H17BrN2O6/c1-14-2-3-17(12-20(14)26(30)31)21(27)13-32-23(29)16-6-10-19(11-7-16)25-22(28)15-4-8-18(24)9-5-15/h2-12H,13H2,1H3,(H,25,28)