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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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