5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-11-one

Systemtic Name: 5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-11-one Openeye Name: 5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-11-one CAS Name: 5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-11-one IUPAC Name: 5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazolo[1,2-b]isoquinolin-5-ium-11-one Traditional Name: 5-methyl-9-nitro-6-phenyl-2-(trifluoromethyl)-10aH-benzimidazol[1,2-b]isoquinolin-5-ium-11-one Formula: C23H15F3N3O3+ MolecularWeight: 438.37871

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C3C=CC(=CC3C(=O)N2C4=C1C=CC(=C4)C(F)(F)F)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C[N+]1=C2C(=C3C=CC(=CC3C(=O)N2C4=C1C=CC(=C4)C(F)(F)F)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C23H15F3N3O3/c1-27-18-10-7-14(23(24,25)26)11-19(18)28-21(27)20(13-5-3-2-4-6-13)16-9-8-15(29(31)32)12-17(16)22(28)30/h2-12,17H,1H3/q+1