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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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