ethyl 4-(4-chlorophenyl)carbonyl-5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)carbonyl-5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 4-(4-chlorobenzoyl)-5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobenzoyl)-5,5-bis(trifluoromethyl)-1,4-dihydropyrazole-3-carboxylate Traditional Name: 4-(4-chlorobenzoyl)-5,5-bis(trifluoromethyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H11ClF6N2O3 MolecularWeight: 416.702859

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClF6N2O3/c1-2-27-12(26)10-9(11(25)7-3-5-8(16)6-4-7)13(24-23-10,14(17,18)19)15(20,21)22/h3-6,9,24H,2H2,1H3