bis(1,3-benzodioxol-5-ylmethyl) pyrimidine-4,6-dicarboxylate

Systemtic Name: bis(1,3-benzodioxol-5-ylmethyl) pyrimidine-4,6-dicarboxylate Openeye Name: bis(1,3-benzodioxol-5-ylmethyl) pyrimidine-4,6-dicarboxylate CAS Name: pyrimidine-4,6-dicarboxylic acid bis(1,3-benzodioxol-5-ylmethyl) ester IUPAC Name: bis(1,3-benzodioxol-5-ylmethyl) pyrimidine-4,6-dicarboxylate Traditional Name: pyrimidine-4,6-dicarboxylic acid dipiperonyl ester Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC(=NC=N3)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC(=NC=N3)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16N2O8/c25-21(27-8-13-1-3-17-19(5-13)31-11-29-17)15-7-16(24-10-23-15)22(26)28-9-14-2-4-18-20(6-14)32-12-30-18/h1-7,10H,8-9,11-12H2