N-(5-imidazol-1-yl-2-nitro-phenyl)-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-(5-imidazol-1-yl-2-nitro-phenyl)-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-(5-imidazol-1-yl-2-nitro-phenyl)quinuclidin-3-amine CAS Name: N-[5-(1-imidazolyl)-2-nitrophenyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-(5-imidazol-1-yl-2-nitrophenyl)-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (5-imidazol-1-yl-2-nitro-phenyl)-quinuclidin-3-yl-amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C=CC(=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C=CC(=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O2/c22-21(23)16-2-1-13(20-8-5-17-11-20)9-14(16)18-15-10-19-6-3-12(15)4-7-19/h1-2,5,8-9,11-12,15,18H,3-4,6-7,10H2