tert-butyl 4-iodanyl-3,5-dimethyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-iodanyl-3,5-dimethyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-iodo-3,5-dimethyl-pyrazole-1-carboxylate CAS Name: 4-iodo-3,5-dimethyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-iodo-3,5-dimethylpyrazole-1-carboxylate Traditional Name: 4-iodo-3,5-dimethyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C10H15IN2O2 MolecularWeight: 322.14277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)OC(C)(C)C)C)I

Isomeric SMILES

CC1=C(C(=NN1C(=O)OC(C)(C)C)C)I

InChI

InChI=1S/C10H15IN2O2/c1-6-8(11)7(2)13(12-6)9(14)15-10(3,4)5/h1-5H3