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

CAS Registry Number®

39562-17-9

CAS Name

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

Molecular Formula

C12H11NO5

Molecular Mass

249.22

Cite this Page

Methyl 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=39562-17-9 (retrieved 2024-11-22) (CAS RN: 39562-17-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11NO5/c1-8(14)11(12(15)18-2)7-9-4-3-5-10(6-9)13(16)17/h3-7H,1-2H3

InChIKey

InChIKey=LYUBYLJQOZIBQB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, methyl ester
  • Methyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
  • Methyl 2-(3-nitrobenzylidene)acetoacetate
  • (3-Nitrobenzylidene)acetoacetic acid methyl ester
  • Methyl α-acetyl-β-(m-nitrophenyl)acrylate

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