1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC3=C(C=C2)OCO3)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC3=C(C=C2)OCO3)C)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-7-12(13(16)17)8(2)15(14-7)9-3-4-10-11(5-9)19-6-18-10/h3-5H,6H2,1-2H3,(H,16,17)