3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzoic acid CAS Name: 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid IUPAC Name: 3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]benzoic acid Formula: C14H10F3NO3 MolecularWeight: 297.22931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H10F3NO3/c15-14(16,17)11-4-5-12(19)18(8-11)7-9-2-1-3-10(6-9)13(20)21/h1-6,8H,7H2,(H,20,21)