N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitro-aniline Openeye Name: 2,4-dinitro-N-[(Z)-quinuclidin-3-ylideneamino]aniline CAS Name: N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(Z)-quinuclidin-3-ylideneamino]amine Formula: C13H15N5O4 MolecularWeight: 305.2893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2

Isomeric SMILES

C1CN2CCC1/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C2

InChI

InChI=1S/C13H15N5O4/c19-17(20)10-1-2-11(13(7-10)18(21)22)14-15-12-8-16-5-3-9(12)4-6-16/h1-2,7,9,14H,3-6,8H2/b15-12+