methyl (2S)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl (2S)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl (2S)-4-(3-chloro-4-methyl-anilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2S)-4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2S)-4-(3-chloro-4-methyl-anilino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H13ClF3NO4 MolecularWeight: 339.69483

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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)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@](C(=O)OC)(C(F)(F)F)O)Cl

InChI

InChI=1S/C13H13ClF3NO4/c1-7-3-4-8(5-9(7)14)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)/t12-/m0/s1