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

Systemtic Name: 2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-(3,5-dibromo-4-hydroxy-phenyl)acetonitrile CAS Name: 2-(3,5-dibromo-4-hydroxyphenyl)acetonitrile IUPAC Name: 2-(3,5-dibromo-4-hydroxyphenyl)acetonitrile Traditional Name: 2-(3,5-dibromo-4-hydroxy-phenyl)acetonitrile Formula: C8H5Br2NO MolecularWeight: 290.9394

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)Br)CC#N

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)Br)CC#N

InChI

InChI=1S/C8H5Br2NO/c9-6-3-5(1-2-11)4-7(10)8(6)12/h3-4,12H,1H2