4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-(quinuclidin-3-ylamino)benzonitrile CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-nitrobenzonitrile Traditional Name: 3-nitro-4-(quinuclidin-3-ylamino)benzonitrile Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2/c15-8-10-1-2-12(14(7-10)18(19)20)16-13-9-17-5-3-11(13)4-6-17/h1-2,7,11,13,16H,3-6,9H2