2-(5-azanyl-8-nitro-isoquinolin-2-ium-2-yl)ethanenitrile bromide

Systemtic Name: 2-(5-azanyl-8-nitro-isoquinolin-2-ium-2-yl)ethanenitrile bromide Openeye Name: 2-(5-amino-8-nitro-isoquinolin-2-ium-2-yl)acetonitrile bromide CAS Name: 2-(5-amino-8-nitro-2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-(5-amino-8-nitroisoquinolin-2-ium-2-yl)acetonitrile bromide Traditional Name: 2-(5-amino-8-nitro-isoquinolin-2-ium-2-yl)acetonitrile bromide Formula: C11H9BrN4O2 MolecularWeight: 309.11876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=[N+](C=CC2=C1N)CC#N)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=C2C=[N+](C=CC2=C1N)CC#N)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C11H9N4O2.BrH/c12-4-6-14-5-3-8-9(7-14)11(15(16)17)2-1-10(8)13;/h1-3,5,7H,6,13H2;1H/q+1;/p-1