tert-butyl 4-iodanylpyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-iodanylpyrazole-1-carboxylate Openeye Name: tert-butyl 4-iodopyrazole-1-carboxylate CAS Name: 4-iodo-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-iodopyrazole-1-carboxylate Traditional Name: 4-iodopyrazole-1-carboxylic acid tert-butyl ester Formula: C8H11IN2O2 MolecularWeight: 294.08961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=N1)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=N1)I

InChI

InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3