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

Systemtic Name: ethyl 4-[(4-nitrophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: ethyl 2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-4-(4-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 2-hydroxy-4-keto-4-(4-nitroanilino)-2-(trifluoromethyl)butyric acid ethyl ester Formula: C13H13F3N2O6 MolecularWeight: 350.24733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O6/c1-2-24-11(20)12(21,13(14,15)16)7-10(19)17-8-3-5-9(6-4-8)18(22)23/h3-6,21H,2,7H2,1H3,(H,17,19)