2-(4-ethanoyl-5-oxidanyl-2-prop-2-enyl-phenoxy)ethanenitrile

Systemtic Name: 2-(4-ethanoyl-5-oxidanyl-2-prop-2-enyl-phenoxy)ethanenitrile Openeye Name: 2-(4-acetyl-2-allyl-5-hydroxy-phenoxy)acetonitrile CAS Name: 2-(4-acetyl-5-hydroxy-2-prop-2-enylphenoxy)acetonitrile IUPAC Name: 2-(4-acetyl-5-hydroxy-2-prop-2-enylphenoxy)acetonitrile Traditional Name: 2-(4-acetyl-2-allyl-5-hydroxy-phenoxy)acetonitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCC#N)CC=C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCC#N)CC=C

InChI

InChI=1S/C13H13NO3/c1-3-4-10-7-11(9(2)15)12(16)8-13(10)17-6-5-14/h3,7-8,16H,1,4,6H2,2H3