2-bromanyl-2-(6,7-dimethoxy-4-oxidanyl-3-oxidanylidene-2H-isoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-bromanyl-2-(6,7-dimethoxy-4-oxidanyl-3-oxidanylidene-2H-isoquinolin-1-yl)ethanenitrile Openeye Name: 2-bromo-2-(4-hydroxy-6,7-dimethoxy-3-oxo-2H-isoquinolin-1-yl)acetonitrile CAS Name: 2-bromo-2-(4-hydroxy-6,7-dimethoxy-3-oxo-2H-isoquinolin-1-yl)acetonitrile IUPAC Name: 2-bromo-2-(4-hydroxy-6,7-dimethoxy-3-oxo-2H-isoquinolin-1-yl)acetonitrile Traditional Name: 2-bromo-2-(4-hydroxy-3-keto-6,7-dimethoxy-2H-isoquinolin-1-yl)acetonitrile Formula: C13H11BrN2O4 MolecularWeight: 339.14144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=O)NC(=C2C=C1OC)C(C#N)Br)O

Isomeric SMILES

COC1=CC2=C(C(=O)NC(=C2C=C1OC)C(C#N)Br)O

InChI

InChI=1S/C13H11BrN2O4/c1-19-9-3-6-7(4-10(9)20-2)12(17)13(18)16-11(6)8(14)5-15/h3-4,8,17H,1-2H3,(H,16,18)