tert-butyl 5-bromanyl-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-iodo-indole-1-carboxylate CAS Name: 5-bromo-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-iodoindole-1-carboxylate Traditional Name: 5-bromo-3-iodo-indole-1-carboxylic acid tert-butyl ester Formula: C13H13BrINO2 MolecularWeight: 422.05629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)I

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)I

InChI

InChI=1S/C13H13BrINO2/c1-13(2,3)18-12(17)16-7-10(15)9-6-8(14)4-5-11(9)16/h4-7H,1-3H3