tert-butyl 3-bromanyl-4-chloranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-4-chloranyl-indole-1-carboxylate Openeye Name: tert-butyl 3-bromo-4-chloro-indole-1-carboxylate CAS Name: 3-bromo-4-chloro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-4-chloroindole-1-carboxylate Traditional Name: 3-bromo-4-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C13H13BrClNO2 MolecularWeight: 330.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Cl)Br

InChI

InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-8(14)11-9(15)5-4-6-10(11)16/h4-7H,1-3H3