5-(4-cyano-2-methoxy-phenoxy)pentanoate

Systemtic Name: 5-(4-cyano-2-methoxy-phenoxy)pentanoate Openeye Name: 5-(4-cyano-2-methoxy-phenoxy)pentanoate CAS Name: 5-(4-cyano-2-methoxyphenoxy)pentanoate IUPAC Name: 5-(4-cyano-2-methoxyphenoxy)pentanoate Traditional Name: 5-(4-cyano-2-methoxy-phenoxy)valerate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCCC(=O)[O-]

InChI

InChI=1S/C13H15NO4/c1-17-12-8-10(9-14)5-6-11(12)18-7-3-2-4-13(15)16/h5-6,8H,2-4,7H2,1H3,(H,15,16)/p-1