1,1-Dimethylethyl 4-cyano-3-iodo-1H-indole-1-carboxylate

CAS Registry Number®

1227268-86-1
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CAS Name

1,1-Dimethylethyl 4-cyano-3-iodo-1H-indole-1-carboxylate

Molecular Formula

C14H13IN2O2

Molecular Mass

368.17

Cite this Page

1,1-Dimethylethyl 4-cyano-3-iodo-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1227268-86-1 (retrieved 2024-08-22) (CAS RN: 1227268-86-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13IN2O2/c1-14(2,3)19-13(18)17-8-10(15)12-9(7-16)5-4-6-11(12)17/h4-6,8H,1-3H3

InChIKey

InChIKey=VDGBEZGBBALLTB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC2=C1C(I)=CN2C(=O)OC(C)(C)C

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 4-cyano-3-iodo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-cyano-3-iodo-1H-indole-1-carboxylate