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

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-methylphenyl)carbonyl-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-2-(4-methoxyphenyl)-5-(4-methylbenzoyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-2-(4-methoxyphenyl)-5-[(4-methylphenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4,4-dihydroxy-2-(4-methoxyphenyl)-5-(4-methylbenzoyl)pyrazol-3-one Traditional Name: 4,4-dihydroxy-2-(4-methoxyphenyl)-5-p-toluoyl-2-pyrazolin-3-one Formula: C18H16N2O5 MolecularWeight: 340.33004

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-11-3-5-12(6-4-11)15(21)16-18(23,24)17(22)20(19-16)13-7-9-14(25-2)10-8-13/h3-10,23-24H,1-2H3