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

Systemtic Name: ethyl (2R)-4-[(4-iodophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: ethyl (2R)-2-hydroxy-4-(4-iodoanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2R)-2-hydroxy-4-(4-iodoanilino)-4-oxo-2-(trifluoromethyl)butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-hydroxy-4-(4-iodoanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2R)-2-hydroxy-4-(4-iodoanilino)-4-keto-2-(trifluoromethyl)butyric acid ethyl ester Formula: C13H13F3INO4 MolecularWeight: 431.1463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)NC1=CC=C(C=C1)I)(C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3INO4/c1-2-22-11(20)12(21,13(14,15)16)7-10(19)18-9-5-3-8(17)4-6-9/h3-6,21H,2,7H2,1H3,(H,18,19)/t12-/m1/s1