1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate

CAS Registry Number®

348640-12-0

CAS Name

1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate

Molecular Formula

C14H13BrN2O2

Molecular Mass

321.17

Cite this Page

1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=348640-12-0 (retrieved 2024-11-24) (CAS RN: 348640-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13BrN2O2/c1-14(2,3)19-13(18)17-8-11(15)10-6-9(7-16)4-5-12(10)17/h4-6,8H,1-3H3

InChIKey

InChIKey=HVLILIWVZXFTEM-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1)=CC(C#N)=CC2

Canonical SMILES

N#CC=1C=CC2=C(C1)C(Br)=CN2C(=O)OC(C)(C)C

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 3-bromo-5-cyano-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-bromo-5-cyano-1H-indole-1-carboxylate
  • 3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
  • 1-Boc-3-Bromo-5-cyanoindole

CAS INSIGHTSTM
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