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

Systemtic Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitro-aniline Openeye Name: 2,4-dinitro-N-[(E)-quinuclidin-1-ium-3-ylideneamino]aniline CAS Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-quinuclidin-1-ium-3-ylideneamino]amine Formula: C13H16N5O4+ MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2

Isomeric SMILES

C1C[NH+]2CCC1/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/p+1/b15-12-