methyl 2-[2-oxidanyl-4-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanyl-4-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]ethanoate Openeye Name: methyl 2-[2-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridyl]acetate CAS Name: 2-[2-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]acetate Traditional Name: 2-[2-hydroxy-4-keto-1-[3-(trifluoromethyl)benzyl]-3-pyridyl]acetic acid methyl ester Formula: C16H14F3NO4 MolecularWeight: 341.28187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N(C=CC1=O)CC2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

COC(=O)CC1=C(N(C=CC1=O)CC2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C16H14F3NO4/c1-24-14(22)8-12-13(21)5-6-20(15(12)23)9-10-3-2-4-11(7-10)16(17,18)19/h2-7,23H,8-9H2,1H3