4-(4-cyano-2-methoxy-phenoxy)butanoate

Systemtic Name: 4-(4-cyano-2-methoxy-phenoxy)butanoate Openeye Name: 4-(4-cyano-2-methoxy-phenoxy)butanoate CAS Name: 4-(4-cyano-2-methoxyphenoxy)butanoate IUPAC Name: 4-(4-cyano-2-methoxyphenoxy)butanoate Traditional Name: 4-(4-cyano-2-methoxy-phenoxy)butyrate Formula: C12H12NO4- MolecularWeight: 234.22798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-16-11-7-9(8-13)4-5-10(11)17-6-2-3-12(14)15/h4-5,7H,2-3,6H2,1H3,(H,14,15)/p-1