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Substance Name: Ethyl (p-nitrobenzoyl)acetate
RN: 838-57-3
InChIKey: NGRXSVFCLHVGKU-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N-O5

Molecular Weight

  • 237.21
 
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Names and Synonyms

Results Name

  • Ethyl (p-nitrobenzoyl)acetate

Synonyms

  • (4-Nitrobenzoyl)acetic acid ethyl ester
  • (p-Nitrobenzoyl)acetic acid ethyl ester
  • 4-10-00-02759 (Beilstein Handbook Reference)
  • Acetic acid, (p-nitrobenzoyl)-, ethyl ester
  • BRN 1124763
  • EINECS 212-656-7
  • Ethyl (4-nitrobenzoyl)acetate
  • Ethyl (p-nitrobenzoyl)acetate
  • Ethyl 4-nitro-beta-oxobenzenepropanoate
  • NSC 62134

Systematic Names

  • Acetic acid, (p-nitrobenzoyl)-, ethyl ester
  • Benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester
  • Ethyl 4-nitrobenzoylacetate

Registry Numbers

CAS Registry Number

  • 838-57-3

System Generated Number

  • 0000838573

Structure Descriptors

InChI

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

InChIKey

NGRXSVFCLHVGKU-UHFFFAOYSA-N

Smiles

c1(C(CC(OCC)=O)=O)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 8620mg/kg (8620mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 79, 1986.