methyl 4-[(3,4-dimethylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl 4-[(3,4-dimethylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl 4-(3,4-dimethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 4-(3,4-dimethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 4-(3,4-dimethylanilino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C14H16F3NO4 MolecularWeight: 319.27635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)OC)(C(F)(F)F)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)OC)(C(F)(F)F)O)C

InChI

InChI=1S/C14H16F3NO4/c1-8-4-5-10(6-9(8)2)18-11(19)7-13(21,12(20)22-3)14(15,16)17/h4-6,21H,7H2,1-3H3,(H,18,19)