2-[3-(4-nitrophenyl)-3-oxidanylidene-propyl]-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-[3-(4-nitrophenyl)-3-oxidanylidene-propyl]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-[3-(4-nitrophenyl)-3-oxo-propyl]quinuclidin-3-one CAS Name: 2-[3-(4-nitrophenyl)-3-oxopropyl]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[3-(4-nitrophenyl)-3-oxopropyl]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-[3-keto-3-(4-nitrophenyl)propyl]quinuclidin-3-one Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(=O)C2CCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c19-15(11-1-3-13(4-2-11)18(21)22)6-5-14-16(20)12-7-9-17(14)10-8-12/h1-4,12,14H,5-10H2