(2S)-2-(3-bromophenyl)-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanenitrile

Systemtic Name: (2S)-2-(3-bromophenyl)-2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethanenitrile Openeye Name: (2S)-2-(3-bromophenyl)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetonitrile CAS Name: (2S)-2-(3-bromophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile IUPAC Name: (2S)-2-(3-bromophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile Traditional Name: (2S)-2-(3-bromophenyl)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]acetonitrile Formula: C12H15BrN2O MolecularWeight: 283.1643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NC(C#N)C1=CC(=CC=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O/c1-12(2,8-16)15-11(7-14)9-4-3-5-10(13)6-9/h3-6,11,15-16H,8H2,1-2H3/t11-/m1/s1