Ethyl 3,5-dimethyl-4-nitrobenzoate

CAS Registry Number®

3095-50-9
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CAS Name

Ethyl 3,5-dimethyl-4-nitrobenzoate

Molecular Formula

C11H13NO4

Molecular Mass

223.23

Cite this Page

Ethyl 3,5-dimethyl-4-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3095-50-9 (retrieved 2024-08-21) (CAS RN: 3095-50-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71-73 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13NO4/c1-4-16-11(13)9-5-7(2)10(12(14)15)8(3)6-9/h5-6H,4H2,1-3H3

InChIKey

InChIKey=LXHYBLDIIOAWLA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-dimethyl-4-nitro-, ethyl ester
  • Ethyl 3,5-dimethyl-4-nitrobenzoate
  • 3,5-Dimethyl-4-nitrobenzoic acid ethyl ester