[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(4-bromo-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(4-bromo-2-methylanilino)-4-oxobutanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-4-keto-butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C21H23BrN2O4/c1-13-4-6-17(11-14(13)2)23-20(26)12-28-21(27)9-8-19(25)24-18-7-5-16(22)10-15(18)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,26)(H,24,25)