5-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-1H-pyrazol-3-one CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-2-phenyl-3-pyrazolin-3-one Formula: C15H11N3O5 MolecularWeight: 313.26494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5/c19-13-7-9(6-12(15(13)21)18(22)23)11-8-14(20)17(16-11)10-4-2-1-3-5-10/h1-8,16,19,21H