[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,6-dimethylanilino)-4-oxobutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,6-dimethylanilino)-4-keto-butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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