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

Systemtic Name: 2-[3-(3,4-dinitrophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-[3-(3,4-dinitrophenyl)propyl]quinuclidin-3-one CAS Name: 2-[3-(3,4-dinitrophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-[3-(3,4-dinitrophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-[3-(3,4-dinitrophenyl)propyl]quinuclidin-3-one Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CCCC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(=O)C2CCCC3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c20-16-12-6-8-17(9-7-12)14(16)3-1-2-11-4-5-13(18(21)22)15(10-11)19(23)24/h4-5,10,12,14H,1-3,6-9H2