ethyl (2R)-4-[(4-cyanophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: ethyl (2R)-4-[(4-cyanophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: ethyl (2R)-4-(4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2R)-4-(4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoic acid ethyl ester IUPAC Name: ethyl (2R)-4-(4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2R)-4-(4-cyanoanilino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid ethyl ester Formula: C14H13F3N2O4 MolecularWeight: 330.25923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)NC1=CC=C(C=C1)C#N)(C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O4/c1-2-23-12(21)13(22,14(15,16)17)7-11(20)19-10-5-3-9(8-18)4-6-10/h3-6,22H,2,7H2,1H3,(H,19,20)/t13-/m1/s1