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

Systemtic Name: 5-(4-methylphenyl)-2-(4-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-2-(4-nitrophenyl)-5-(p-tolyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-5-(4-methylphenyl)-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4,4-dihydroxy-5-(4-methylphenyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: 4,4-dihydroxy-2-(4-nitrophenyl)-5-(p-tolyl)-2-pyrazolin-3-one Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C2(O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C2(O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-10-2-4-11(5-3-10)14-16(21,22)15(20)18(17-14)12-6-8-13(9-7-12)19(23)24/h2-9,21-22H,1H3