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

Systemtic Name: 4-iodanyl-2-[[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Openeye Name: 4-iodo-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid CAS Name: 4-iodo-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid IUPAC Name: 4-iodo-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Traditional Name: 4-iodo-2-[[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Formula: C12H9F3IN3O3 MolecularWeight: 427.11784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)I)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)I)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9F3IN3O3/c1-18-10(12(13,14)15)17-19(11(18)22)5-6-4-7(16)2-3-8(6)9(20)21/h2-4H,5H2,1H3,(H,20,21)