dimethyl 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)pyrazole-3,4-dicarboxylate Traditional Name: 1-piperonylpyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C15H14N2O6 MolecularWeight: 318.28146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1C(=O)OC)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CN(N=C1C(=O)OC)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14N2O6/c1-20-14(18)10-7-17(16-13(10)15(19)21-2)6-9-3-4-11-12(5-9)23-8-22-11/h3-5,7H,6,8H2,1-2H3