5-nitro-2-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzonitrile CAS Name: 5-nitro-2-[2-(2-pyridin-1-iumylamino)ethylamino]benzonitrile IUPAC Name: 5-nitro-2-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzonitrile Traditional Name: 5-nitro-2-[2-(pyridin-1-ium-2-ylamino)ethylamino]benzonitrile Formula: C14H14N5O2+ MolecularWeight: 284.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N5O2/c15-10-11-9-12(19(20)21)4-5-13(11)16-7-8-18-14-3-1-2-6-17-14/h1-6,9,16H,7-8H2,(H,17,18)/p+1