methyl 3-chloranyl-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylate

Systemtic Name: methyl 3-chloranyl-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylate Openeye Name: methyl 3-chloro-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylate CAS Name: 3-chloro-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylate Traditional Name: 3-chloro-5,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester Formula: C7H9ClF3N3O2 MolecularWeight: 259.61347

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=NC(N1C(=O)OC)(C(F)(F)F)Cl)C

Isomeric SMILES

CC1(N=NC(N1C(=O)OC)(C(F)(F)F)Cl)C

InChI

InChI=1S/C7H9ClF3N3O2/c1-5(2)12-13-6(8,7(9,10)11)14(5)4(15)16-3/h1-3H3