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

Systemtic Name: 4-bromanyl-2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-tert-butyl-5-methylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-2-tert-butyl-5-methyl-pyrazole-3-carboxylic acid Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)O)C(C)(C)C

InChI

InChI=1S/C9H13BrN2O2/c1-5-6(10)7(8(13)14)12(11-5)9(2,3)4/h1-4H3,(H,13,14)