1-(1,1-Dimethylethyl) 3-methyl 5-bromo-1H-indole-1,3-dicarboxylate

CAS Registry Number®

1100052-64-9
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CAS Name

1-(1,1-Dimethylethyl) 3-methyl 5-bromo-1H-indole-1,3-dicarboxylate

Molecular Formula

C15H16BrNO4

Molecular Mass

354.20

Cite this Page

1-(1,1-Dimethylethyl) 3-methyl 5-bromo-1H-indole-1,3-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1100052-64-9 (retrieved 2024-09-06) (CAS RN: 1100052-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123.7-124.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16BrNO4/c1-15(2,3)21-14(19)17-8-11(13(18)20-4)10-7-9(16)5-6-12(10)17/h5-8H,1-4H3

InChIKey

InChIKey=WUAKVCRJIPQNOK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CN(C(=O)OC(C)(C)C)C=2C=CC(Br)=CC12

Other Names for this Substance

  • 1H-Indole-1,3-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) 3-methyl ester
  • 1-(1,1-Dimethylethyl) 3-methyl 5-bromo-1H-indole-1,3-dicarboxylate