4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)vinyl]benzoic acid Formula: C19H15NO5 MolecularWeight: 337.3261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)C3=CC=C(C=C3)C(=O)O)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C=C(C#N)C3=CC=C(C=C3)C(=O)O)OCO2

InChI

InChI=1S/C19H15NO5/c1-2-23-16-9-18-17(24-11-25-18)8-14(16)7-15(10-20)12-3-5-13(6-4-12)19(21)22/h3-9H,2,11H2,1H3,(H,21,22)