1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-triazole-4-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-triazolecarboxylate IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazole-4-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-triazole-4-carboxylate Formula: C12H6F6N3O2- MolecularWeight: 338.185359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C12H7F6N3O2/c1-5-9(10(22)23)19-20-21(5)8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4H,1H3,(H,22,23)/p-1