N-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-(2,5-dimethyl-4-nitro-pyrazol-3-yl)quinuclidin-3-amine CAS Name: N-(2,5-dimethyl-4-nitro-3-pyrazolyl)-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-(2,5-dimethyl-4-nitropyrazol-3-yl)-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (2,5-dimethyl-4-nitro-pyrazol-3-yl)-quinuclidin-3-yl-amine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NC2CN3CCC2CC3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NC2CN3CCC2CC3)C

InChI

InChI=1S/C12H19N5O2/c1-8-11(17(18)19)12(15(2)14-8)13-10-7-16-5-3-9(10)4-6-16/h9-10,13H,3-7H2,1-2H3