(2-butoxy-2-oxidanylidene-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C22H20F3N3O4 MolecularWeight: 447.40711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O4/c1-2-3-12-31-18(29)14-32-21(30)19-26-20(15-8-5-4-6-9-15)28(27-19)17-11-7-10-16(13-17)22(23,24)25/h4-11,13H,2-3,12,14H2,1H3