(2Z)-2-(1-bromanyl-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)ethanenitrile

Systemtic Name: (2Z)-2-(1-bromanyl-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)ethanenitrile Openeye Name: (2Z)-2-(1-bromo-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)acetonitrile CAS Name: (2Z)-2-(1-bromo-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)acetonitrile IUPAC Name: (2Z)-2-(1-bromo-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)acetonitrile Traditional Name: (2Z)-2-(1-bromo-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-ylidene)acetonitrile Formula: C13H13BrN2O2 MolecularWeight: 309.15852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(=CC#N)CC2=C1)Br)OC

Isomeric SMILES

COC1=C(C=C2C(N/C(=C\C#N)/CC2=C1)Br)OC

InChI

InChI=1S/C13H13BrN2O2/c1-17-11-6-8-5-9(3-4-15)16-13(14)10(8)7-12(11)18-2/h3,6-7,13,16H,5H2,1-2H3/b9-3-