2-[5-(2-bromanylethanoyl)-2-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[5-(2-bromanylethanoyl)-2-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-[5-(2-bromoacetyl)-2-hydroxy-phenyl]acetonitrile CAS Name: 2-[5-(2-bromo-1-oxoethyl)-2-hydroxyphenyl]acetonitrile IUPAC Name: 2-[5-(2-bromoacetyl)-2-hydroxyphenyl]acetonitrile Traditional Name: 2-[5-(2-bromoacetyl)-2-hydroxy-phenyl]acetonitrile Formula: C10H8BrNO2 MolecularWeight: 254.08002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CBr)CC#N)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CBr)CC#N)O

InChI

InChI=1S/C10H8BrNO2/c11-6-10(14)7-1-2-9(13)8(5-7)3-4-12/h1-2,5,13H,3,6H2