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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)acetonitrile CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile IUPAC Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetonitrile Traditional Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)acetonitrile Formula: C9H8BrNO2 MolecularWeight: 242.06932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrNO2/c1-13-8-5-6(2-3-11)4-7(10)9(8)12/h4-5,12H,2H2,1H3