dimethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H16N4O7 MolecularWeight: 376.32084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H16N4O7/c1-24-15(22)13-14(16(23)25-2)20(19-18-13)7-12(21)17-6-9-3-4-10-11(5-9)27-8-26-10/h3-5H,6-8H2,1-2H3,(H,17,21)