(4-cyanophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C20H14F3N3O3 MolecularWeight: 401.33867

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC=C(C=C2)C#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H14F3N3O3/c1-28-17-11-26(16-4-2-3-15(9-16)20(21,22)23)25-18(17)19(27)29-12-14-7-5-13(10-24)6-8-14/h2-9,11H,12H2,1H3