2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-tert-butyl-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)C(C)(C)C

InChI

InChI=1S/C9H14N2O2/c1-6-5-7(8(12)13)11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)