2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanenitrile

Systemtic Name: 2-(2-ethyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanenitrile Openeye Name: 2-[(2-ethyl-1-oxo-5-isoquinolyl)oxy]acetonitrile CAS Name: 2-[(2-ethyl-1-oxo-5-isoquinolinyl)oxy]acetonitrile IUPAC Name: 2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetonitrile Traditional Name: 2-[(2-ethyl-1-keto-5-isoquinolyl)oxy]acetonitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C(C1=O)C=CC=C2OCC#N

Isomeric SMILES

CCN1C=CC2=C(C1=O)C=CC=C2OCC#N

InChI

InChI=1S/C13H12N2O2/c1-2-15-8-6-10-11(13(15)16)4-3-5-12(10)17-9-7-14/h3-6,8H,2,9H2,1H3