3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-9(2)6-17-7-11(15(18)19)14(16-17)10-3-4-12-13(5-10)21-8-20-12/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)