2-[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanenitrile

Systemtic Name: 2-[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanenitrile Openeye Name: 2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile CAS Name: 2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile IUPAC Name: 2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile Traditional Name: 2-(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)CC#N

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)CC#N

InChI

InChI=1S/C11H12N2O2/c12-2-4-13-3-1-8-5-10(14)11(15)6-9(8)7-13/h5-6,14-15H,1,3-4,7H2