2-chloranyl-5-[3-methyl-3-oxidanidyl-6-oxidanylidene-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-methyl-3-oxidanidyl-6-oxidanylidene-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-methyl-3-oxido-6-oxo-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid CAS Name: 2-chloro-5-[3-methyl-3-oxido-6-oxo-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-methyl-3-oxido-6-oxo-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid Traditional Name: 2-chloro-5-[6-keto-3-methyl-3-oxido-4-(trifluoromethyl)-2H-pyrimidin-3-ium-1-yl]benzoic acid Formula: C13H10ClF3N2O4 MolecularWeight: 350.67771

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CN(C(=O)C=C1C(F)(F)F)C2=CC(=C(C=C2)Cl)C(=O)O)[O-]

Isomeric SMILES

C[N+]1(CN(C(=O)C=C1C(F)(F)F)C2=CC(=C(C=C2)Cl)C(=O)O)[O-]

InChI

InChI=1S/C13H10ClF3N2O4/c1-19(23)6-18(11(20)5-10(19)13(15,16)17)7-2-3-9(14)8(4-7)12(21)22/h2-5H,6H2,1H3,(H,21,22)