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

Systemtic Name: 4-[(E)-1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoate Openeye Name: 4-[(E)-1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)ethenyl]benzoate Traditional Name: 4-[(E)-1-cyano-2-(6-ethoxy-1,3-benzodioxol-5-yl)vinyl]benzoate Formula: C19H14NO5- MolecularWeight: 336.31816

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=C1/C=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)/p-1/b15-7-