1,3-ditert-butyl-5-chloranyl-pyrazole-4-carboxylic acid

Systemtic Name: 1,3-ditert-butyl-5-chloranyl-pyrazole-4-carboxylic acid Openeye Name: 1,3-ditert-butyl-5-chloro-pyrazole-4-carboxylic acid CAS Name: 1,3-ditert-butyl-5-chloro-4-pyrazolecarboxylic acid IUPAC Name: 1,3-ditert-butyl-5-chloropyrazole-4-carboxylic acid Traditional Name: 1,3-ditert-butyl-5-chloro-pyrazole-4-carboxylic acid Formula: C12H19ClN2O2 MolecularWeight: 258.74446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C(C)(C)C

InChI

InChI=1S/C12H19ClN2O2/c1-11(2,3)8-7(10(16)17)9(13)15(14-8)12(4,5)6/h1-6H3,(H,16,17)