methyl (2S)-4-[(2-methylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl (2S)-4-[(2-methylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl (2S)-2-hydroxy-4-(2-methylanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2S)-2-hydroxy-4-(2-methylanilino)-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-4-(2-methylanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2S)-2-hydroxy-4-keto-4-(o-toluidino)-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@](C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO4/c1-8-5-3-4-6-9(8)17-10(18)7-12(20,11(19)21-2)13(14,15)16/h3-6,20H,7H2,1-2H3,(H,17,18)/t12-/m0/s1