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

Systemtic Name: methyl (2R)-4-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl (2R)-4-(3-chloro-4-cyano-anilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2R)-4-(3-chloro-4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2R)-4-(3-chloro-4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2R)-4-(3-chloro-4-cyano-anilino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H10ClF3N2O4 MolecularWeight: 350.67771

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=CC(=C(C=C1)C#N)Cl)(C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@](CC(=O)NC1=CC(=C(C=C1)C#N)Cl)(C(F)(F)F)O

InChI

InChI=1S/C13H10ClF3N2O4/c1-23-11(21)12(22,13(15,16)17)5-10(20)19-8-3-2-7(6-18)9(14)4-8/h2-4,22H,5H2,1H3,(H,19,20)/t12-/m1/s1