ethyl 5-(4-methylphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: ethyl 1-benzoyl-5-hydroxy-5-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-hydroxy-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-3-26-19(24)17-13-20(25,16-11-9-14(2)10-12-16)22(21-17)18(23)15-7-5-4-6-8-15/h4-12,25H,3,13H2,1-2H3