[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2Br)C

InChI

InChI=1S/C20H20BrNO4/c1-13-7-8-15(11-14(13)2)18(23)9-10-20(25)26-12-19(24)22-17-6-4-3-5-16(17)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)