(2S)-2-(3-bromophenyl)-2-(3-oxidanylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(3-bromophenyl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(3-bromophenyl)-2-(3-hydroxypropylamino)acetonitrile CAS Name: (2S)-2-(3-bromophenyl)-2-(3-hydroxypropylamino)acetonitrile IUPAC Name: (2S)-2-(3-bromophenyl)-2-(3-hydroxypropylamino)acetonitrile Traditional Name: (2S)-2-(3-bromophenyl)-2-(3-hydroxypropylamino)acetonitrile Formula: C11H13BrN2O MolecularWeight: 269.13772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(C#N)NCCCO

Isomeric SMILES

C1=CC(=CC(=C1)Br)[C@@H](C#N)NCCCO

InChI

InChI=1S/C11H13BrN2O/c12-10-4-1-3-9(7-10)11(8-13)14-5-2-6-15/h1,3-4,7,11,14-15H,2,5-6H2/t11-/m1/s1