1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate

CAS Registry Number®

1171917-34-2
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CAS Name

1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate

Molecular Formula

C16H15BrN2O3

Molecular Mass

363.21

Cite this Page

1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1171917-34-2 (retrieved 2024-08-02) (CAS RN: 1171917-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H15BrN2O3/c1-16(2,3)22-15(21)19-9-10(13(20)7-8-18)14-11(17)5-4-6-12(14)19/h4-6,9H,7H2,1-3H3

InChIKey

InChIKey=ZURJGGAMMLKXNN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC(=O)C1=CN(C(=O)OC(C)(C)C)C=2C=CC=C(Br)C12

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 4-bromo-3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-bromo-3-(2-cyanoacetyl)-1H-indole-1-carboxylate