2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethylamino]-5-nitro-benzonitrile Formula: C15H12ClF3N5O2+ MolecularWeight: 386.73629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C15H11ClF3N5O2/c16-12-6-10(15(17,18)19)8-23-14(12)22-4-3-21-13-2-1-11(24(25)26)5-9(13)7-20/h1-2,5-6,8,21H,3-4H2,(H,22,23)/p+1