diethyl 1-(4-methylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 1-(4-methylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 5-phenyl-1-(p-tolyl)pyrazole-3,4-dicarboxylate CAS Name: 1-(4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 5-phenyl-1-(p-tolyl)pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-4-27-21(25)18-19(22(26)28-5-2)23-24(17-13-11-15(3)12-14-17)20(18)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3