(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxidanylidenepiperidin-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxidanylidenepiperidin-1-yl)ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1-piperidyl)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1-piperidinyl)acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxopiperidin-1-yl)acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ketopiperidino)acetonitrile Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCC1=O)[C@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H16N2O3/c16-10-13(17-5-3-12(18)4-6-17)11-1-2-14-15(9-11)20-8-7-19-14/h1-2,9,13H,3-8H2/t13-/m1/s1