5-(2-methanoyl-3-methoxy-phenoxy)pentanenitrile

Systemtic Name: 5-(2-methanoyl-3-methoxy-phenoxy)pentanenitrile Openeye Name: 5-(2-formyl-3-methoxy-phenoxy)pentanenitrile CAS Name: 5-(2-formyl-3-methoxyphenoxy)pentanenitrile IUPAC Name: 5-(2-formyl-3-methoxyphenoxy)pentanenitrile Traditional Name: 5-(2-formyl-3-methoxy-phenoxy)valeronitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OCCCCC#N)C=O

Isomeric SMILES

COC1=C(C(=CC=C1)OCCCCC#N)C=O

InChI

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