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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methoxycarbonyl-pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methoxycarbonyl-pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methoxycarbonyl-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methoxycarbonylpyrazole-3-carboxylic acid Traditional Name: 4-carbomethoxy-1-piperonyl-pyrazole-3-carboxylic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6/c1-20-14(19)9-6-16(15-12(9)13(17)18)5-8-2-3-10-11(4-8)22-7-21-10/h2-4,6H,5,7H2,1H3,(H,17,18)