5-[4-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-phenoxy]pentanenitrile

Systemtic Name: 5-[4-ethanoyl-2-(hydroxymethyl)-5-oxidanyl-phenoxy]pentanenitrile Openeye Name: 5-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]pentanenitrile CAS Name: 5-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]pentanenitrile IUPAC Name: 5-[4-acetyl-5-hydroxy-2-(hydroxymethyl)phenoxy]pentanenitrile Traditional Name: 5-(4-acetyl-5-hydroxy-2-methylol-phenoxy)valeronitrile Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCCCCC#N)CO

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCCCCC#N)CO

InChI

InChI=1S/C14H17NO4/c1-10(17)12-7-11(9-16)14(8-13(12)18)19-6-4-2-3-5-15/h7-8,16,18H,2-4,6,9H2,1H3