3-[5-(4-nitrophenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(4-nitrophenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-nitrophenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-nitrophenyl)-3-[2-(trifluoromethyl)-1-benzimidazol-1-iumylidene]-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-(4-nitrophenyl)-3-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[3-(4-nitrophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-ium-1-ylidene]-3-pyrazolin-1-yl]propionitrile Formula: C20H14F3N6O2+ MolecularWeight: 427.35937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C([N+]2=C3C=C(NN3CCC#N)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C([N+]2=C3C=C(NN3CCC#N)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H13F3N6O2/c21-20(22,23)19-25-15-4-1-2-5-17(15)28(19)18-12-16(26-27(18)11-3-10-24)13-6-8-14(9-7-13)29(30)31/h1-2,4-9,12H,3,11H2/p+1