Methyl 2-(2′-nitrobenzylidene)acetoacetate

CAS Registry Number®

39562-27-1
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CAS Name

Methyl 2-(2′-nitrobenzylidene)acetoacetate

Molecular Formula

C12H11NO5

Molecular Mass

249.22

Cite this Page

Methyl 2-(2′-nitrobenzylidene)acetoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=39562-27-1 (retrieved 2024-04-27) (CAS RN: 39562-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-101 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=APKKCRAKPMSAEI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C(=CC=1C=CC=CC1N(=O)=O)C(=O)C

Other Names for this Substance

  • Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, methyl ester
  • Methyl 2-(2-nitrobenzylidene)acetoacetate
  • Methyl (o-nitrobenzylidene)acetoacetate
  • Methyl 2-(o-nitrobenzylidene)acetoacetate
  • Methyl 2-(2′-nitrobenzylidene)acetoacetate

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