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

Systemtic Name: 2-[3-(3,4-dinitrophenyl)-3-oxidanylidene-propyl]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-[3-(3,4-dinitrophenyl)-3-oxo-propyl]quinuclidin-3-one CAS Name: 2-[3-(3,4-dinitrophenyl)-3-oxopropyl]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[3-(3,4-dinitrophenyl)-3-oxopropyl]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-[3-(3,4-dinitrophenyl)-3-keto-propyl]quinuclidin-3-one Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6/c20-15(4-3-13-16(21)10-5-7-17(13)8-6-10)11-1-2-12(18(22)23)14(9-11)19(24)25/h1-2,9-10,13H,3-8H2