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

Systemtic Name: diethyl 1-(4-ethanoylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-(4-acetylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(4-acetylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-acetylphenyl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(4-acetylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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(=O)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-4-29-22(27)19-20(23(28)30-5-2)24-25(21(19)17-9-7-6-8-10-17)18-13-11-16(12-14-18)15(3)26/h6-14H,4-5H2,1-3H3