[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H18BrNO4/c1-15-6-8-16(9-7-15)22(27)19-4-2-3-5-20(19)23(28)29-14-21(26)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,26)