ethyl 4-(4-chlorophenyl)carbonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(4-chlorobenzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Traditional Name: 4-(4-chlorobenzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C14H10ClF3N2O3 MolecularWeight: 346.68901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1C(=O)C2=CC=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNC(=C1C(=O)C2=CC=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C14H10ClF3N2O3/c1-2-23-13(22)10-9(12(20-19-10)14(16,17)18)11(21)7-3-5-8(15)6-4-7/h3-6H,2H2,1H3,(H,19,20)