ethyl 5-methyl-3-oxidanyl-2-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-methyl-3-oxidanyl-2-(4-phenylphenyl)carbonyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 3-hydroxy-5-methyl-2-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 3-hydroxy-5-methyl-2-[oxo-(4-phenylphenyl)methyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-5-methyl-2-(4-phenylbenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 3-hydroxy-5-methyl-2-(4-phenylbenzoyl)-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(CC(=NN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)O

Isomeric SMILES

CCOC(=O)C1(CC(=NN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C)O

InChI

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