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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-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-keto-2-methoxy-ethyl) ester Formula: C19H14F3N3O4 MolecularWeight: 405.32737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O4/c1-28-15(26)11-29-18(27)16-23-17(12-6-3-2-4-7-12)25(24-16)14-9-5-8-13(10-14)19(20,21)22/h2-10H,11H2,1H3