2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzonitrile CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitrobenzonitrile IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzonitrile Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H14N4O2/c13-9-10-8-11(16(17)18)2-3-12(10)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2/p+1