4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzonitrile CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3,5-dinitrobenzonitrile IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitrobenzonitrile Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3,5-dinitro-benzonitrile Formula: C13H16N5O4+ MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4/c1-2-15-3-5-16(6-4-15)13-11(17(19)20)7-10(9-14)8-12(13)18(21)22/h7-8H,2-6H2,1H3/p+1