1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate

CAS Registry Number®

10560-13-1

CAS Name

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate

Molecular Formula

C12H13NO6

Molecular Mass

267.23

Cite this Page

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10560-13-1 (retrieved 2024-11-21) (CAS RN: 10560-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7H,3-4H2,1-2H3

InChIKey

InChIKey=PYBFOSCCWZPUSC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C=1C=C(C=C(C1)N(=O)=O)C(=O)OCC

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-diethyl ester
  • Isophthalic acid, 5-nitro-, diethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-nitro-, diethyl ester
  • 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration