2-[3,5-bis(bromanyl)-4-methoxy-2-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[3,5-bis(bromanyl)-4-methoxy-2-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-(3,5-dibromo-2-hydroxy-4-methoxy-phenyl)acetonitrile CAS Name: 2-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)acetonitrile IUPAC Name: 2-(3,5-dibromo-2-hydroxy-4-methoxyphenyl)acetonitrile Traditional Name: 2-(3,5-dibromo-2-hydroxy-4-methoxy-phenyl)acetonitrile Formula: C9H7Br2NO2 MolecularWeight: 320.96538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1Br)O)CC#N)Br

Isomeric SMILES

COC1=C(C=C(C(=C1Br)O)CC#N)Br

InChI

InChI=1S/C9H7Br2NO2/c1-14-9-6(10)4-5(2-3-12)8(13)7(9)11/h4,13H,2H2,1H3