2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-phenyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]acetate Formula: C11H7F3N3O2- MolecularWeight: 270.18739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H8F3N3O2/c12-11(13,14)10-16-15-9(17(10)6-8(18)19)7-4-2-1-3-5-7/h1-5H,6H2,(H,18,19)/p-1