methyl 4-oxidanylidene-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylate Openeye Name: methyl 4-oxo-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylate CAS Name: 4-oxo-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylate Traditional Name: 4-keto-2,5-bis(trifluoromethyl)-1H-pyridine-3-carboxylic acid methyl ester Formula: C9H5F6NO3 MolecularWeight: 289.131319

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC=C(C1=O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC=C(C1=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H5F6NO3/c1-19-7(18)4-5(17)3(8(10,11)12)2-16-6(4)9(13,14)15/h2H,1H3,(H,16,17)