1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

CAS Registry Number®

39562-25-9
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CAS Name

1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate

Molecular Formula

C14H15NO5

Molecular Mass

277.27

Cite this Page

1-Methylethyl 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=39562-25-9 (retrieved 2024-09-10) (CAS RN: 39562-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C14H15NO5/c1-9(2)20-14(17)13(10(3)16)8-11-5-4-6-12(7-11)15(18)19/h4-9H,1-3H3

InChIKey

InChIKey=KSZOTXZFYCRWQK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 1-methylethyl ester
  • 1-Methylethyl 2-[(3-nitrophenyl)methylene]-3-oxobutanoate
  • Isopropyl 2-(3-nitrobenzylidene)acetoacetate
  • Isopropyl 2-(m-nitrobenzylidene)acetoacetate