tert-butyl 5-iodanyl-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-iodanyl-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C11H16INO2 MolecularWeight: 321.15471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)I)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H16INO2/c1-6-7(2)9(12)13-8(6)10(14)15-11(3,4)5/h13H,1-5H3