4-[4-(4,5-dicyano-2-nitro-phenyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[4-(4,5-dicyano-2-nitro-phenyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[4-(4,5-dicyano-2-nitro-phenyl)piperazin-1-yl]-5-nitro-phthalonitrile CAS Name: 4-[4-(4,5-dicyano-2-nitrophenyl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[4-(4,5-dicyano-2-nitrophenyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[4-(4,5-dicyano-2-nitro-phenyl)piperazino]-5-nitro-phthalonitrile Formula: C20H12N8O4 MolecularWeight: 428.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H12N8O4/c21-9-13-5-17(19(27(29)30)7-15(13)11-23)25-1-2-26(4-3-25)18-6-14(10-22)16(12-24)8-20(18)28(31)32/h5-8H,1-4H2