1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid Traditional Name: 1-piperonylpyrazole-3,4-dicarboxylic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=C(C(=N3)C(=O)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=C(C(=N3)C(=O)O)C(=O)O

InChI

InChI=1S/C13H10N2O6/c16-12(17)8-5-15(14-11(8)13(18)19)4-7-1-2-9-10(3-7)21-6-20-9/h1-3,5H,4,6H2,(H,16,17)(H,18,19)