(2E)-2-(1-nitro-3-phenyl-propan-2-ylidene)-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: (2E)-2-(1-nitro-3-phenyl-propan-2-ylidene)-1-azabicyclo[2.2.2]octan-3-one Openeye Name: (2E)-2-(1-benzyl-2-nitro-ethylidene)quinuclidin-3-one CAS Name: (2E)-2-(1-nitro-3-phenylpropan-2-ylidene)-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: (2E)-2-(1-nitro-3-phenylpropan-2-ylidene)-1-azabicyclo[2.2.2]octan-3-one Traditional Name: (2E)-2-(1-benzyl-2-nitro-ethylidene)quinuclidin-3-one Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2=C(CC3=CC=CC=C3)C[N+](=O)[O-]

Isomeric SMILES

C1CN\2CCC1C(=O)/C2=C(/CC3=CC=CC=C3)\C[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O3/c19-16-13-6-8-17(9-7-13)15(16)14(11-18(20)21)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2/b15-14+