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

Systemtic Name: methyl 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylate Openeye Name: methyl 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylate CAS Name: 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylate Traditional Name: 3,3-dimethyl-5-phenyl-5-(trifluoromethyl)-1,2,4-triazole-4-carboxylic acid methyl ester Formula: C13H14F3N3O2 MolecularWeight: 301.26437

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=NC(N1C(=O)OC)(C2=CC=CC=C2)C(F)(F)F)C

Isomeric SMILES

CC1(N=NC(N1C(=O)OC)(C2=CC=CC=C2)C(F)(F)F)C

InChI

InChI=1S/C13H14F3N3O2/c1-11(2)17-18-12(13(14,15)16,19(11)10(20)21-3)9-7-5-4-6-8-9/h4-8H,1-3H3