Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate

CAS Registry Number®

1245648-72-9

CAS Name

Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate

Molecular Formula

C12H9BrN2O2

Molecular Mass

293.12

Cite this Page

Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1245648-72-9 (retrieved 2024-11-26) (CAS RN: 1245648-72-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H9BrN2O2/c1-2-17-12(16)11-10(13)8-5-7(6-14)3-4-9(8)15-11/h3-5,15H,2H2,1H3

InChIKey

InChIKey=UHLLRHYSOMRMLB-UHFFFAOYSA-N

SMILES

BrC=1C=2C(NC1C(OCC)=O)=CC=C(C#N)C2

Canonical SMILES

N#CC=1C=CC=2NC(C(=O)OCC)=C(Br)C2C1

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, 3-bromo-5-cyano-, ethyl ester
  • Ethyl 3-bromo-5-cyano-1H-indole-2-carboxylate
  • 3-Bromo-5-cyano-1H-indole-2-carboxylic acid ethyl ester

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