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

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: 3-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 3-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylate IUPAC Name: 3-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 3-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Formula: C10H5F3N3O2- MolecularWeight: 256.16081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CN=N2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CN=N2)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C10H6F3N3O2/c11-10(12,13)6-2-1-3-7(4-6)16-8(9(17)18)5-14-15-16/h1-5H,(H,17,18)/p-1