5-iodanyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

Systemtic Name: 5-iodanyl-2-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Openeye Name: 5-iodo-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid CAS Name: 5-iodo-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxylic acid IUPAC Name: 5-iodo-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid Traditional Name: 5-iodo-2-keto-1-[4-(trifluoromethyl)benzyl]nicotinic acid Formula: C14H9F3INO3 MolecularWeight: 423.12584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=C(C2=O)C(=O)O)I)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=C(C2=O)C(=O)O)I)C(F)(F)F

InChI

InChI=1S/C14H9F3INO3/c15-14(16,17)9-3-1-8(2-4-9)6-19-7-10(18)5-11(12(19)20)13(21)22/h1-5,7H,6H2,(H,21,22)