tert-butyl 6-bromanyl-3-iodanyl-indole-1-carboxylate

Systemtic Name: tert-butyl 6-bromanyl-3-iodanyl-indole-1-carboxylate Openeye Name: tert-butyl 6-bromo-3-iodo-indole-1-carboxylate CAS Name: 6-bromo-3-iodo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-bromo-3-iodoindole-1-carboxylate Traditional Name: 6-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=C(C=C2)Br)I

Isomeric SMILES

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

InChI

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