methyl (2R)-4-[(4-nitrophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl (2R)-4-[(4-nitrophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl (2R)-2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2R)-2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2R)-2-hydroxy-4-keto-4-(4-nitroanilino)-2-(trifluoromethyl)butyric acid methyl ester Formula: C12H11F3N2O6 MolecularWeight: 336.22075

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@](CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C12H11F3N2O6/c1-23-10(19)11(20,12(13,14)15)6-9(18)16-7-2-4-8(5-3-7)17(21)22/h2-5,20H,6H2,1H3,(H,16,18)/t11-/m1/s1