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

Systemtic Name: phenyl 1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: phenyl 1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid phenyl ester Formula: C16H10F3N3O2 MolecularWeight: 333.26471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-5-9-14(12)22-10-13(20-21-22)15(23)24-11-6-2-1-3-7-11/h1-10H