dimethyl 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylate

Systemtic Name: dimethyl 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylate Openeye Name: dimethyl 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylate CAS Name: 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylate Traditional Name: 5-tert-butyl-3,3-bis(trifluoromethyl)-1,2,4-triazole-1,2-dicarboxylic acid dimethyl ester Formula: C12H15F6N3O4 MolecularWeight: 379.255619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(N(N1C(=O)OC)C(=O)OC)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(N(N1C(=O)OC)C(=O)OC)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H15F6N3O4/c1-9(2,3)6-19-10(11(13,14)15,12(16,17)18)21(8(23)25-5)20(6)7(22)24-4/h1-5H3