O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(piperonylamino)ethyl] ester O1-methyl ester Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7/c1-24-18(22)13-3-5-14(6-4-13)19(23)25-10-17(21)20-9-12-2-7-15-16(8-12)27-11-26-15/h2-8H,9-11H2,1H3,(H,20,21)