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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-14-5-8(12(15)16)11(13-14)7-2-3-9-10(4-7)18-6-17-9/h2-5H,6H2,1H3,(H,15,16)