N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-chloranyl-2-nitro-aniline

Systemtic Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-chloranyl-2-nitro-aniline Openeye Name: 5-chloro-2-nitro-N-[(E)-quinuclidin-1-ium-3-ylideneamino]aniline CAS Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline IUPAC Name: N-[(E)-1-azoniabicyclo[2.2.2]octan-3-ylideneamino]-5-chloro-2-nitroaniline Traditional Name: (5-chloro-2-nitro-phenyl)-[(E)-quinuclidin-1-ium-3-ylideneamino]amine Formula: C13H16ClN4O2+ MolecularWeight: 295.74474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]2CCC1/C(=N\NC3=C(C=CC(=C3)Cl)[N+](=O)[O-])/C2

InChI

InChI=1S/C13H15ClN4O2/c14-10-1-2-13(18(19)20)11(7-10)15-16-12-8-17-5-3-9(12)4-6-17/h1-2,7,9,15H,3-6,8H2/p+1/b16-12-