5-(dioxidanylmethyl)-4-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-(dioxidanylmethyl)-4-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Openeye Name: 5-(hydroperoxymethyl)-4-methyl-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 5-(hydroperoxymethyl)-4-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-(hydroperoxymethyl)-4-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 5-(hydroperoxymethyl)-4-methyl-2-(p-tolyl)-3-pyrazolin-3-one Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)COO)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)COO)C

InChI

InChI=1S/C12H14N2O3/c1-8-3-5-10(6-4-8)14-12(15)9(2)11(13-14)7-17-16/h3-6,13,16H,7H2,1-2H3