ethyl 2-(3-cyanophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 2-(3-cyanophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 2-(3-cyanophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carboxylate CAS Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-cyanophenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole-3-carboxylate Traditional Name: 2-(3-cyanophenyl)-5-(trifluoromethyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C14H12F3N3O2 MolecularWeight: 311.25919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=NN1C2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC(=NN1C2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O2/c1-2-22-13(21)11-7-12(14(15,16)17)19-20(11)10-5-3-4-9(6-10)8-18/h3-6,11H,2,7H2,1H3