2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-5-nitro-benzonitrile CAS Name: 2-[3-(3-methyl-1-imidazol-3-iumyl)propylamino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-5-nitrobenzonitrile Traditional Name: 2-[3-(3-methylimidazol-3-ium-1-yl)propylamino]-5-nitro-benzonitrile Formula: C14H16N5O2+ MolecularWeight: 286.30914

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[N+]1=CN(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H16N5O2/c1-17-7-8-18(11-17)6-2-5-16-14-4-3-13(19(20)21)9-12(14)10-15/h3-4,7-9,11,16H,2,5-6H2,1H3/q+1