5-(1,3-benzodioxol-5-yl)-2-ethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-ethyl-pyrazole-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-2-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-ethylpyrazole-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-ethyl-pyrazole-3-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

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