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

Systemtic Name: ethyl 5-(4-methylphenyl)-1-(3-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-(3-methylbenzoyl)-5-(p-tolyl)-4H-pyrazole-3-carboxylate CAS Name: 5-hydroxy-5-(4-methylphenyl)-1-[(3-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-(3-methylbenzoyl)-5-(4-methylphenyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-hydroxy-1-m-toluoyl-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-4-27-20(25)18-13-21(26,17-10-8-14(2)9-11-17)23(22-18)19(24)16-7-5-6-15(3)12-16/h5-12,26H,4,13H2,1-3H3