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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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