1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate

CAS Registry Number®

914349-32-9
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CAS Name

1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate

Molecular Formula

C13H13IN2O4

Molecular Mass

388.16

Cite this Page

1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=914349-32-9 (retrieved 2024-08-11) (CAS RN: 914349-32-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H13IN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3

InChIKey

InChIKey=AHNPSRXYIVESJP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC(C)(C)C)N1C=C(I)C=2C=C(C=CC21)N(=O)=O

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 3-iodo-5-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-iodo-5-nitro-1H-indole-1-carboxylate