tert-butyl 5-iodanyl-4-methyl-3-(2-oxidanylideneethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-iodanyl-4-methyl-3-(2-oxidanylideneethyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-iodo-4-methyl-3-(2-oxoethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-iodo-4-methyl-3-(2-oxoethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodo-4-methyl-3-(2-oxoethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-iodo-3-(2-ketoethyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C12H16INO3 MolecularWeight: 349.16481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CC=O)C(=O)OC(C)(C)C)I

Isomeric SMILES

CC1=C(NC(=C1CC=O)C(=O)OC(C)(C)C)I

InChI

InChI=1S/C12H16INO3/c1-7-8(5-6-15)9(14-10(7)13)11(16)17-12(2,3)4/h6,14H,5H2,1-4H3