4-(1,1-Dimethylethyl) 2-nitro-1,4-benzenedicarboxylate

CAS Registry Number®

362469-92-9
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CAS Name

4-(1,1-Dimethylethyl) 2-nitro-1,4-benzenedicarboxylate

Molecular Formula

C12H13NO6

Molecular Mass

267.23

Cite this Page

4-(1,1-Dimethylethyl) 2-nitro-1,4-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=362469-92-9 (retrieved 2024-08-13) (CAS RN: 362469-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO6/c1-12(2,3)19-11(16)7-4-5-8(10(14)15)9(6-7)13(17)18/h4-6H,1-3H3,(H,14,15)

InChIKey

InChIKey=YCMITCOIYKPNDE-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C1=CC(N(=O)=O)=C(C(O)=O)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1N(=O)=O)C(=O)OC(C)(C)C

Other Names for this Substance

  • 1,4-Benzenedicarboxylic acid, 2-nitro-, 4-(1,1-dimethylethyl) ester
  • 4-(1,1-Dimethylethyl) 2-nitro-1,4-benzenedicarboxylate
  • 4-[[(1,1-Dimethylethyl)oxy]carbonyl]-2-nitrobenzoic acid