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

Systemtic Name: methyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylate CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)benzyl]-2-keto-nicotinic acid methyl ester Formula: C16H11F6NO3 MolecularWeight: 379.253859

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN(C1=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CN(C1=O)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO3/c1-26-14(25)12-3-2-4-23(13(12)24)8-9-5-10(15(17,18)19)7-11(6-9)16(20,21)22/h2-7H,8H2,1H3