5-nitrospiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]-1'-one

Systemtic Name: 5-nitrospiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]-1'-one Openeye Name: 5-nitrospiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]-1'-one CAS Name: 5-nitro-1'-spiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]one IUPAC Name: 5-nitrospiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]-1'-one Traditional Name: 5-nitrospiro[1,3-dihydrobenzimidazole-2,4'-cyclohexane]-1'-one Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1=O)NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2(CCC1=O)NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c16-9-3-5-12(6-4-9)13-10-2-1-8(15(17)18)7-11(10)14-12/h1-2,7,13-14H,3-6H2