5-(4-methylphenyl)-4,4-bis(oxidanyl)-2-(phenylmethyl)pyrazol-3-one

Systemtic Name: 5-(4-methylphenyl)-4,4-bis(oxidanyl)-2-(phenylmethyl)pyrazol-3-one Openeye Name: 2-benzyl-4,4-dihydroxy-5-(p-tolyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-5-(4-methylphenyl)-2-(phenylmethyl)-3-pyrazolone IUPAC Name: 2-benzyl-4,4-dihydroxy-5-(4-methylphenyl)pyrazol-3-one Traditional Name: 2-benzyl-4,4-dihydroxy-5-(p-tolyl)-2-pyrazolin-3-one Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C2(O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C2(O)O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3/c1-12-7-9-14(10-8-12)15-17(21,22)16(20)19(18-15)11-13-5-3-2-4-6-13/h2-10,21-22H,11H2,1H3