Ethyl 3-nitro-β-oxobenzenepropanoate

CAS Registry Number®

52119-38-7
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CAS Name

Ethyl 3-nitro-β-oxobenzenepropanoate

Molecular Formula

C11H11NO5

Molecular Mass

237.21

Cite this Page

Ethyl 3-nitro-β-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52119-38-7 (retrieved 2024-04-27) (CAS RN: 52119-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    75-77 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-4-3-5-9(6-8)12(15)16/h3-6H,2,7H2,1H3

InChIKey

InChIKey=DSOJMGUVLXTQSE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, 3-nitro-β-oxo-, ethyl ester
  • Acetic acid, (m-nitrobenzoyl)-, ethyl ester
  • Ethyl 3-nitro-β-oxobenzenepropanoate
  • Ethyl(m-nitrobenzoyl)acetate
  • Ethyl (3-nitrobenzoyl)acetate

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