3-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-nitro-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-nitro-cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-nitro-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-nitrocyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-nitro-cyclohepta-2,4,6-trien-1-one Formula: C7H5NO4 MolecularWeight: 167.1189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO4/c9-6-4-2-1-3-5(7(6)10)8(11)12/h1-4H,(H,9,10)