1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylate CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylate IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)benzyl]-2-keto-nicotinate Formula: C15H8F6NO3- MolecularWeight: 364.219339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)C(=C1)C(=O)[O-])CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CN(C(=O)C(=C1)C(=O)[O-])CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H9F6NO3/c16-14(17,18)9-4-8(5-10(6-9)15(19,20)21)7-22-3-1-2-11(12(22)23)13(24)25/h1-6H,7H2,(H,24,25)/p-1