1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(3-nitrophenyl)-2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C16H11F3N3O3+ MolecularWeight: 350.27205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H10F3N3O3/c17-16(18,19)15-20-12-6-1-2-7-13(12)21(15)9-14(23)10-4-3-5-11(8-10)22(24)25/h1-8H,9H2/p+1