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

Systemtic Name: 2-(3-bromanyl-5-ethanoyl-4-oxidanyl-phenyl)ethanenitrile Openeye Name: 2-(3-acetyl-5-bromo-4-hydroxy-phenyl)acetonitrile CAS Name: 2-(3-acetyl-5-bromo-4-hydroxyphenyl)acetonitrile IUPAC Name: 2-(3-acetyl-5-bromo-4-hydroxyphenyl)acetonitrile Traditional Name: 2-(3-acetyl-5-bromo-4-hydroxy-phenyl)acetonitrile Formula: C10H8BrNO2 MolecularWeight: 254.08002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)Br)CC#N

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)Br)CC#N

InChI

InChI=1S/C10H8BrNO2/c1-6(13)8-4-7(2-3-12)5-9(11)10(8)14/h4-5,14H,2H2,1H3