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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-triazole-4-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-4-triazolecarboxylate IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyltriazole-4-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-triazole-4-carboxylate Formula: C17H8F6N3O2- MolecularWeight: 400.254739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H9F6N3O2/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)26-14(9-4-2-1-3-5-9)13(15(27)28)24-25-26/h1-8H,(H,27,28)/p-1