5-(4-ethanoyl-2-methanoyl-5-oxidanyl-phenoxy)pentanenitrile

Systemtic Name: 5-(4-ethanoyl-2-methanoyl-5-oxidanyl-phenoxy)pentanenitrile Openeye Name: 5-(4-acetyl-2-formyl-5-hydroxy-phenoxy)pentanenitrile CAS Name: 5-(4-acetyl-2-formyl-5-hydroxyphenoxy)pentanenitrile IUPAC Name: 5-(4-acetyl-2-formyl-5-hydroxyphenoxy)pentanenitrile Traditional Name: 5-(4-acetyl-2-formyl-5-hydroxy-phenoxy)valeronitrile Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-10(17)12-7-11(9-16)14(8-13(12)18)19-6-4-2-3-5-15/h7-9,18H,2-4,6H2,1H3