3-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]propanoic acid CAS Name: 3-[4-cyano-2-(2-oxiranylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[4-cyano-2-(oxiran-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-(4-cyano-2-glycidoxy-phenyl)propionic acid Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC2=C(C=CC(=C2)C#N)CCC(=O)O

Isomeric SMILES

C1C(O1)COC2=C(C=CC(=C2)C#N)CCC(=O)O

InChI

InChI=1S/C13H13NO4/c14-6-9-1-2-10(3-4-13(15)16)12(5-9)18-8-11-7-17-11/h1-2,5,11H,3-4,7-8H2,(H,15,16)