1-methyl-4-oxidanylidene-2,6-bis[2,3,4-tris(fluoranyl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-2,6-bis[2,3,4-tris(fluoranyl)phenyl]pyridine-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-2,6-bis(2,3,4-trifluorophenyl)pyridine-3-carboxylic acid CAS Name: 1-methyl-4-oxo-2,6-bis(2,3,4-trifluorophenyl)-3-pyridinecarboxylic acid IUPAC Name: 1-methyl-4-oxo-2,6-bis(2,3,4-trifluorophenyl)pyridine-3-carboxylic acid Traditional Name: 4-keto-1-methyl-2,6-bis(2,3,4-trifluorophenyl)nicotinic acid Formula: C19H9F6NO3 MolecularWeight: 413.270079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)C(=C1C2=C(C(=C(C=C2)F)F)F)C(=O)O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CN1C(=CC(=O)C(=C1C2=C(C(=C(C=C2)F)F)F)C(=O)O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C19H9F6NO3/c1-26-11(7-2-4-9(20)16(24)14(7)22)6-12(27)13(19(28)29)18(26)8-3-5-10(21)17(25)15(8)23/h2-6H,1H3,(H,28,29)