methyl 3-chloranyl-4-[(3-nitrophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl 3-chloranyl-4-[(3-nitrophenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl 3-chloro-2-hydroxy-4-(3-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 3-chloro-2-hydroxy-4-(3-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 3-chloro-2-hydroxy-4-(3-nitroanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 3-chloro-2-hydroxy-4-keto-4-(3-nitroanilino)-2-(trifluoromethyl)butyric acid methyl ester Formula: C12H10ClF3N2O6 MolecularWeight: 370.66581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClF3N2O6/c1-24-10(20)11(21,12(14,15)16)8(13)9(19)17-6-3-2-4-7(5-6)18(22)23/h2-5,8,21H,1H3,(H,17,19)