phenacyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-(3-chloro-4-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-4-methylanilino)-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-4-methyl-anilino)-4-keto-butyric acid phenacyl ester Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO4/c1-13-7-8-15(11-16(13)20)21-18(23)9-10-19(24)25-12-17(22)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)