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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-hydroxy-acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxyacetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-hydroxyacetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-hydroxy-acetonitrile Formula: C9H8BrNO3 MolecularWeight: 258.06872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrNO3/c1-14-8-3-5(7(12)4-11)2-6(10)9(8)13/h2-3,7,12-13H,1H3