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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C15H16N2O4/c1-15(2,3)17-7-10(14(18)19)13(16-17)9-4-5-11-12(6-9)21-8-20-11/h4-7H,8H2,1-3H3,(H,18,19)