4-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

Systemtic Name: 4-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Openeye Name: 4-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid CAS Name: 4-[6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]benzoic acid IUPAC Name: 4-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Traditional Name: 4-[6-keto-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Formula: C12H7F3N2O3 MolecularWeight: 284.19079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=NC(=CC2=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=NC(=CC2=O)C(F)(F)F

InChI

InChI=1S/C12H7F3N2O3/c13-12(14,15)9-5-10(18)17(6-16-9)8-3-1-7(2-4-8)11(19)20/h1-6H,(H,19,20)