5-nitro-2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzofuran-7-carbaldehyde

Systemtic Name: 5-nitro-2-(3-oxidanyl-1-azabicyclo[2.2.2]octan-3-yl)-1-benzofuran-7-carbaldehyde Openeye Name: 2-(3-hydroxyquinuclidin-3-yl)-5-nitro-benzofuran-7-carbaldehyde CAS Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-7-benzofurancarboxaldehyde IUPAC Name: 2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-1-benzofuran-7-carbaldehyde Traditional Name: 2-(3-hydroxyquinuclidin-3-yl)-5-nitro-benzofuran-7-carbaldehyde Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(C3=CC4=CC(=CC(=C4O3)C=O)[N+](=O)[O-])O

Isomeric SMILES

C1CN2CCC1C(C2)(C3=CC4=CC(=CC(=C4O3)C=O)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O5/c19-8-11-6-13(18(21)22)5-10-7-14(23-15(10)11)16(20)9-17-3-1-12(16)2-4-17/h5-8,12,20H,1-4,9H2