tert-butyl 4-ethyl-5-iodanyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-ethyl-5-iodanyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-5-iodo-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C12H18INO2 MolecularWeight: 335.18129

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)I

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C12H18INO2/c1-6-8-7(2)9(14-10(8)13)11(15)16-12(3,4)5/h14H,6H2,1-5H3