2-[(1S)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]ethanenitrile

Systemtic Name: 2-[(1S)-3-oxidanylidene-1,2-dihydroisoindol-1-yl]ethanenitrile Openeye Name: 2-[(1S)-3-oxoisoindolin-1-yl]acetonitrile CAS Name: 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetonitrile IUPAC Name: 2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetonitrile Traditional Name: 2-[(1S)-3-ketoisoindolin-1-yl]acetonitrile Formula: C10H8N2O MolecularWeight: 172.18332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(NC2=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](NC2=O)CC#N

InChI

InChI=1S/C10H8N2O/c11-6-5-9-7-3-1-2-4-8(7)10(13)12-9/h1-4,9H,5H2,(H,12,13)/t9-/m0/s1