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

Systemtic Name: 2-methyl-5-(3-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 4,4-dihydroxy-2-methyl-5-(3-nitrophenyl)pyrazol-3-one CAS Name: 4,4-dihydroxy-2-methyl-5-(3-nitrophenyl)-3-pyrazolone IUPAC Name: 4,4-dihydroxy-2-methyl-5-(3-nitrophenyl)pyrazol-3-one Traditional Name: 4,4-dihydroxy-2-methyl-5-(3-nitrophenyl)-2-pyrazolin-3-one Formula: C10H9N3O5 MolecularWeight: 251.19556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

CN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C10H9N3O5/c1-12-9(14)10(15,16)8(11-12)6-3-2-4-7(5-6)13(17)18/h2-5,15-16H,1H3