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

Systemtic Name: 5-(4-methylphenyl)carbonyl-4,4-bis(oxidanyl)-2-phenyl-pyrazol-3-one Openeye Name: 4,4-dihydroxy-5-(4-methylbenzoyl)-2-phenyl-pyrazol-3-one CAS Name: 4,4-dihydroxy-5-[(4-methylphenyl)-oxomethyl]-2-phenyl-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-(4-methylbenzoyl)-2-phenylpyrazol-3-one Traditional Name: 4,4-dihydroxy-2-phenyl-5-p-toluoyl-2-pyrazolin-3-one Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4/c1-11-7-9-12(10-8-11)14(20)15-17(22,23)16(21)19(18-15)13-5-3-2-4-6-13/h2-10,22-23H,1H3