3,5-dinitro-4-piperazin-1-yl-benzenecarbonitrile

Systemtic Name: 3,5-dinitro-4-piperazin-1-yl-benzenecarbonitrile Openeye Name: 3,5-dinitro-4-piperazin-1-yl-benzonitrile CAS Name: 3,5-dinitro-4-(1-piperazinyl)benzonitrile IUPAC Name: 3,5-dinitro-4-piperazin-1-ylbenzonitrile Traditional Name: 3,5-dinitro-4-piperazino-benzonitrile Formula: C11H11N5O4 MolecularWeight: 277.23614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4/c12-7-8-5-9(15(17)18)11(10(6-8)16(19)20)14-3-1-13-2-4-14/h5-6,13H,1-4H2