ethyl 4-ethanoyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-ethanoyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-acetyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 4-acetyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 4-acetyl-2-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid ethyl ester Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C2=CC=C(C=C2)OC)C(F)(F)F)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C2=CC=C(C=C2)OC)C(F)(F)F)C(=O)C

InChI

InChI=1S/C16H15F3N2O4/c1-4-25-15(23)13-12(9(2)22)14(16(17,18)19)20-21(13)10-5-7-11(24-3)8-6-10/h5-8H,4H2,1-3H3