3-nitro-4-pyridin-1-ium-1-yl-benzenecarbonitrile chloride

Systemtic Name: 3-nitro-4-pyridin-1-ium-1-yl-benzenecarbonitrile chloride Openeye Name: 3-nitro-4-pyridin-1-ium-1-yl-benzonitrile chloride CAS Name: 3-nitro-4-(1-pyridin-1-iumyl)benzonitrile chloride IUPAC Name: 3-nitro-4-pyridin-1-ium-1-ylbenzonitrile chloride Traditional Name: 3-nitro-4-pyridin-1-ium-1-yl-benzonitrile chloride Formula: C12H8ClN3O2 MolecularWeight: 261.66382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H8N3O2.ClH/c13-9-10-4-5-11(12(8-10)15(16)17)14-6-2-1-3-7-14;/h1-8H;1H/q+1;/p-1