tert-butyl 3-iodanylpyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-iodanylpyrazole-1-carboxylate Openeye Name: tert-butyl 3-iodopyrazole-1-carboxylate CAS Name: 3-iodo-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-iodopyrazole-1-carboxylate Traditional Name: 3-iodopyrazole-1-carboxylic acid tert-butyl ester Formula: C8H11IN2O2 MolecularWeight: 294.08961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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