4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-nitro-phthalonitrile CAS Name: 4-[4-(2-cyanoethyl)-1-piperazin-4-iumyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-5-nitro-phthalonitrile Formula: C15H15N6O2+ MolecularWeight: 311.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O2/c16-2-1-3-19-4-6-20(7-5-19)14-8-12(10-17)13(11-18)9-15(14)21(22)23/h8-9H,1,3-7H2/p+1