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

Systemtic Name: 5-[3-nitro-4,5-bis(oxidanyl)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(3,4-dihydroxy-5-nitrophenyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)-3-pyrazolin-3-one Formula: C9H7N3O5 MolecularWeight: 237.16898

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C2=CC(=O)NN2

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C2=CC(=O)NN2

InChI

InChI=1S/C9H7N3O5/c13-7-2-4(5-3-8(14)11-10-5)1-6(9(7)15)12(16)17/h1-3,13,15H,(H2,10,11,14)