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

Systemtic Name: 2-(4-methylphenyl)-5-(3-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-(p-tolyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-2-(4-methylphenyl)-5-(3-nitrophenyl)-3-pyrazolone IUPAC Name: 4,4-dihydroxy-2-(4-methylphenyl)-5-(3-nitrophenyl)pyrazol-3-one Traditional Name: 4,4-dihydroxy-5-(3-nitrophenyl)-2-(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)N2C(=O)C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])(O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])(O)O

InChI

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