3-nitro-12-oxidanidyl-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide

Systemtic Name: 3-nitro-12-oxidanidyl-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide Openeye Name: 3-nitro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide CAS Name: 3-nitro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide IUPAC Name: 3-nitro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide Traditional Name: 3-nitro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazol[1,2-b]isoquinoline-5,12-diium 5-oxide Formula: C16H9F3N3O4+ MolecularWeight: 364.25557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C[N+]3(C(C=C21)[N+](=O)C4=C3C=CC(=C4)[N+](=O)[O-])[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C[N+]3(C(C=C21)[N+](=O)C4=C3C=CC(=C4)[N+](=O)[O-])[O-])C(F)(F)F

InChI

InChI=1S/C16H9F3N3O4/c17-16(18,19)11-2-1-9-6-15-20(23)13-7-12(21(24)25)3-4-14(13)22(15,26)8-10(9)5-11/h1-8,15H/q+1