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

Systemtic Name: diethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C23H18F6N2O4 MolecularWeight: 500.390439

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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)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H18F6N2O4/c1-3-34-20(32)17-18(21(33)35-4-2)30-31(19(17)13-8-6-5-7-9-13)16-11-14(22(24,25)26)10-15(12-16)23(27,28)29/h5-12H,3-4H2,1-2H3