2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl 3-(trifluoromethyl)benzoate

Systemtic Name: 2-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)ethyl 3-(trifluoromethyl)benzoate Openeye Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl ester IUPAC Name: 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 2-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)ethyl ester Formula: C20H17F3N2O3 MolecularWeight: 390.35579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCOC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O3/c1-13-17(18(26)25(24-13)16-8-3-2-4-9-16)10-11-28-19(27)14-6-5-7-15(12-14)20(21,22)23/h2-9,12,24H,10-11H2,1H3