[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methylanilino)-4-oxobutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(3-chloro-4-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methyl-anilino)-4-keto-butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H17BrClNO4 MolecularWeight: 438.69958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClNO4/c1-12-2-7-15(10-16(12)21)22-18(24)8-9-19(25)26-11-17(23)13-3-5-14(20)6-4-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)