N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethoxy-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-quinuclidin-3-yl-benzamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-quinuclidin-3-yl-benzamide Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2CN3CCC2CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2CN3CCC2CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-2-23-15-4-3-12(9-14(15)19(21)22)16(20)17-13-10-18-7-5-11(13)6-8-18/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,17,20)