[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H19NO7 MolecularWeight: 385.36736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19NO7/c1-12(19(22)21-10-13-2-4-16-17(8-13)27-11-26-16)28-20(23)14-3-5-15-18(9-14)25-7-6-24-15/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,22)