methyl 5-(4-methoxyphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-methoxyphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4H-pyrazole-3-carboxylate Openeye Name: methyl 1-benzoyl-5-hydroxy-5-(4-methoxyphenyl)-4H-pyrazole-3-carboxylate CAS Name: 1-benzoyl-5-hydroxy-5-(4-methoxyphenyl)-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-benzoyl-5-hydroxy-5-(4-methoxyphenyl)-4H-pyrazole-3-carboxylate Traditional Name: 1-benzoyl-5-hydroxy-5-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C19H18N2O5/c1-25-15-10-8-14(9-11-15)19(24)12-16(18(23)26-2)20-21(19)17(22)13-6-4-3-5-7-13/h3-11,24H,12H2,1-2H3