2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethanenitrile

Systemtic Name: 2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethanenitrile Openeye Name: 2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)acetonitrile CAS Name: 2-(4-acetyl-3-hydroxy-2-propylphenoxy)acetonitrile IUPAC Name: 2-(4-acetyl-3-hydroxy-2-propylphenoxy)acetonitrile Traditional Name: 2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)acetonitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC#N

InChI

InChI=1S/C13H15NO3/c1-3-4-11-12(17-8-7-14)6-5-10(9(2)15)13(11)16/h5-6,16H,3-4,8H2,1-2H3