tert-butyl 2-(6-cyano-1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: tert-butyl 2-(6-cyano-1,3-benzodioxol-5-yl)ethanoate Openeye Name: tert-butyl 2-(6-cyano-1,3-benzodioxol-5-yl)acetate CAS Name: 2-(6-cyano-1,3-benzodioxol-5-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-cyano-1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(6-cyano-1,3-benzodioxol-5-yl)acetic acid tert-butyl ester Formula: C14H15NO4 MolecularWeight: 261.2732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC2=C(C=C1C#N)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC2=C(C=C1C#N)OCO2

InChI

InChI=1S/C14H15NO4/c1-14(2,3)19-13(16)6-9-4-11-12(18-8-17-11)5-10(9)7-15/h4-5H,6,8H2,1-3H3