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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-(4-methylanilino)-4-oxo-butanoate CAS Name: 4-(4-methylanilino)-4-oxobutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(4-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(p-toluidino)butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c1-13-3-5-15(6-4-13)22-18(24)9-10-20(26)27-12-19(25)23-16-7-8-17(21)14(2)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)