4-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate Openeye Name: 4-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzoate CAS Name: 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate IUPAC Name: 4-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate Traditional Name: 4-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]benzoate Formula: C14H9F3NO3- MolecularWeight: 296.22137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(F)(F)F)C(=O)[O-]

InChI

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