6-cyano-N-oxidanyl-11-oxidanylidene-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinolin-9-amine oxide

Systemtic Name: 6-cyano-N-oxidanyl-11-oxidanylidene-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinolin-9-amine oxide Openeye Name: 6-cyano-N-hydroxy-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinolin-9-amine oxide CAS Name: 6-cyano-N-hydroxy-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinolin-9-amine oxide IUPAC Name: 6-cyano-N-hydroxy-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinolin-9-amine oxide Traditional Name: 6-cyano-N-hydroxy-11-keto-2-(trifluoromethyl)-5H-benzimidazol[1,2-b]isoquinolin-9-amine oxide Formula: C17H9F3N4O3 MolecularWeight: 374.27357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C#N)N2

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[NH+](O)[O-])C#N)N2

InChI

InChI=1S/C17H9F3N4O3/c18-17(19,20)8-1-4-13-14(5-8)23-15(22-13)12(7-21)10-3-2-9(24(26)27)6-11(10)16(23)25/h1-6,22,24,26H