Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

CAS Registry Number®

39562-16-8
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CAS Name

Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Molecular Formula

C13H13NO5

Molecular Mass

263.25

Cite this Page

Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39562-16-8 (retrieved 2024-08-23) (CAS RN: 39562-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3

InChIKey

InChIKey=YOPMSDPIOQUWFE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)C(=CC1=CC=CC(=C1)N(=O)=O)C(=O)C

Other Names for this Substance

  • Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, ethyl ester
  • Cinnamic acid, α-acetyl-m-nitro-, ethyl ester
  • Ethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
  • Ethyl 2-(3-nitrobenzylidene)acetoacetate
  • Ethyl α-acetyl-β-(m-nitrophenyl)acrylate

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