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

Systemtic Name: 2-ethyl-5-(3-nitrophenyl)-4,4-bis(oxidanyl)pyrazol-3-one Openeye Name: 2-ethyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one CAS Name: 2-ethyl-4,4-dihydroxy-5-(3-nitrophenyl)-3-pyrazolone IUPAC Name: 2-ethyl-4,4-dihydroxy-5-(3-nitrophenyl)pyrazol-3-one Traditional Name: 2-ethyl-4,4-dihydroxy-5-(3-nitrophenyl)-2-pyrazolin-3-one Formula: C11H11N3O5 MolecularWeight: 265.22214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

Isomeric SMILES

CCN1C(=O)C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(O)O

InChI

InChI=1S/C11H11N3O5/c1-2-13-10(15)11(16,17)9(12-13)7-4-3-5-8(6-7)14(18)19/h3-6,16-17H,2H2,1H3