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

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl] 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid [2-(4-bromo-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric acid [2-(4-bromo-2-chloro-anilino)-2-keto-ethyl] ester Formula: C19H18BrClN2O4 MolecularWeight: 453.71422

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN2O4/c1-12-3-2-4-14(9-12)22-17(24)7-8-19(26)27-11-18(25)23-16-6-5-13(20)10-15(16)21/h2-6,9-10H,7-8,11H2,1H3,(H,22,24)(H,23,25)