2-chloranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid Openeye Name: 2-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid CAS Name: 2-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid IUPAC Name: 2-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid Traditional Name: 2-chloro-4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzoic acid Formula: C11H7ClF3N3O3 MolecularWeight: 321.63979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C2=CC(=C(C=C2)C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)C2=CC(=C(C=C2)C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C11H7ClF3N3O3/c1-17-9(11(13,14)15)16-18(10(17)21)5-2-3-6(8(19)20)7(12)4-5/h2-4H,1H3,(H,19,20)