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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-propyl-pyrazole-3-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-propyl-pyrazole-3-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-2-propyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-propylpyrazole-3-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-propyl-pyrazole-3-carboxylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCN1C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C14H14N2O4/c1-2-5-16-11(14(17)18)7-10(15-16)9-3-4-12-13(6-9)20-8-19-12/h3-4,6-7H,2,5,8H2,1H3,(H,17,18)