3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid Formula: C11H8N2O4 MolecularWeight: 232.19222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C11H8N2O4/c14-11(15)8-4-7(12-13-8)6-1-2-9-10(3-6)17-5-16-9/h1-4H,5H2,(H,12,13)(H,14,15)