[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3-bromanyl-4-methyl-phenyl)carbonylamino]benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(3-bromanyl-4-methyl-phenyl)carbonylamino]benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-[(3-bromo-4-methyl-benzoyl)amino]benzoate CAS Name: 4-[[(3-bromo-4-methylphenyl)-oxomethyl]amino]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(3-bromo-4-methylbenzoyl)amino]benzoate Traditional Name: 4-[(3-bromo-4-methyl-benzoyl)amino]benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H22BrNO4 MolecularWeight: 480.35048

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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)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)Br)C

InChI

InChI=1S/C25H22BrNO4/c1-15-4-6-19(12-17(15)3)23(28)14-31-25(30)18-8-10-21(11-9-18)27-24(29)20-7-5-16(2)22(26)13-20/h4-13H,14H2,1-3H3,(H,27,29)