(2S)-2-azanyl-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanenitrile

Systemtic Name: (2S)-2-azanyl-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanenitrile Openeye Name: (2S)-2-amino-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)acetonitrile CAS Name: (2S)-2-amino-2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-amino-2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-amino-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)acetonitrile Formula: C9H9BrN2O2 MolecularWeight: 257.08396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C#N)N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@@H](C#N)N)Br)O

InChI

InChI=1S/C9H9BrN2O2/c1-14-8-3-5(7(12)4-11)2-6(10)9(8)13/h2-3,7,13H,12H2,1H3/t7-/m1/s1