2-[3-[bis(fluoranyl)methyl]-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[3-[bis(fluoranyl)methyl]-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[3-(difluoromethyl)-2-methyl-1-benzimidazol-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[3-(difluoromethyl)-2-methylbenzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[3-(difluoromethyl)-2-methyl-benzimidazol-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C17H14F2N3O3+ MolecularWeight: 346.308166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1C(F)F)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1C(F)F)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14F2N3O3/c1-11-20(14-4-2-3-5-15(14)21(11)17(18)19)10-16(23)12-6-8-13(9-7-12)22(24)25/h2-9,17H,10H2,1H3/q+1