4-[(2S)-3-azanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-azanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-amino-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-amino-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-amino-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-amino-2-hydroxy-propoxy]benzonitrile Formula: C10H12N2O2 MolecularWeight: 192.21448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC[C@H](CN)O

InChI

InChI=1S/C10H12N2O2/c11-5-8-1-3-10(4-2-8)14-7-9(13)6-12/h1-4,9,13H,6-7,12H2/t9-/m0/s1