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

Systemtic Name: [2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl] 4-(2-methylanilino)-4-oxo-butanoate CAS Name: 4-(2-methylanilino)-4-oxobutanoic acid [2-(4-bromo-2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(2-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-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=C1NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

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