2-chloranyl-5-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]benzoic acid IUPAC Name: 2-chloro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[6-keto-2-methoxy-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid Formula: C13H8ClF3N2O4 MolecularWeight: 348.66183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=O)N1C2=CC(=C(C=C2)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=NC(=CC(=O)N1C2=CC(=C(C=C2)Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H8ClF3N2O4/c1-23-12-18-9(13(15,16)17)5-10(20)19(12)6-2-3-8(14)7(4-6)11(21)22/h2-5H,1H3,(H,21,22)