1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate

CAS Registry Number®

2007920-44-5

CAS Name

1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate

Molecular Formula

C14H13IN2O2

Molecular Mass

368.17

Cite this Page

1,1-Dimethylethyl 6-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=2007920-44-5 (retrieved 2024-11-29) (CAS RN: 2007920-44-5).  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)17-8-11(15)10-5-4-9(7-16)6-12(10)17/h4-6,8H,1-3H3

InChIKey

InChIKey=QWKKBCZEHPMXIN-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C(I)=C1)=CC=C(C#N)C2

Canonical SMILES

N#CC=1C=CC=2C(I)=CN(C(=O)OC(C)(C)C)C2C1

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 6-cyano-3-iodo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-cyano-3-iodo-1H-indole-1-carboxylate

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