2-(5,6-dimethoxy-2-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-(5,6-dimethoxy-2-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanenitrile Openeye Name: 2-(2-hydroxy-5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile CAS Name: 2-(2-hydroxy-5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile IUPAC Name: 2-(2-hydroxy-5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Traditional Name: 2-(2-hydroxy-5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetonitrile Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(N(CC2)O)CC#N)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(N(CC2)O)CC#N)OC

InChI

InChI=1S/C13H16N2O3/c1-17-12-4-3-9-10(13(12)18-2)6-8-15(16)11(9)5-7-14/h3-4,11,16H,5-6,8H2,1-2H3