tert-butyl 5-chloranyl-3-iodanyl-pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-3-iodanyl-pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 5-chloro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 5-chloro-3-iodo-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 5-chloro-3-iodo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C12H12ClIN2O2 MolecularWeight: 378.59335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC(=CN=C21)Cl)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC(=CN=C21)Cl)I

InChI

InChI=1S/C12H12ClIN2O2/c1-12(2,3)18-11(17)16-6-9(14)8-4-7(13)5-15-10(8)16/h4-6H,1-3H3