dimethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-keto-2-(piperonylamino)ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C20H19NO8/c1-25-19(23)13-6-14(20(24)26-2)8-15(7-13)27-10-18(22)21-9-12-3-4-16-17(5-12)29-11-28-16/h3-8H,9-11H2,1-2H3,(H,21,22)