diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate Openeye Name: diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate CAS Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate Traditional Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C22H18BrF3N2O4 MolecularWeight: 511.28853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrF3N2O4/c1-3-31-20(29)17-18(21(30)32-4-2)27-28(19(17)13-7-5-9-15(23)11-13)16-10-6-8-14(12-16)22(24,25)26/h5-12H,3-4H2,1-2H3