[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C20H19NO6 MolecularWeight: 369.36796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO6/c1-12(2)19(23)21-15-6-3-13(4-7-15)16(22)10-25-20(24)14-5-8-17-18(9-14)27-11-26-17/h3-9,12H,10-11H2,1-2H3,(H,21,23)