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

CAS Registry Number®

61312-59-2

CAS Name

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

Molecular Formula

C15H17NO5

Molecular Mass

291.30

Cite this Page

2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61312-59-2 (retrieved 2024-12-27) (CAS RN: 61312-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    68-69 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H17NO5/c1-10(2)9-21-15(18)13(11(3)17)8-12-6-4-5-7-14(12)16(19)20/h4-8,10H,9H2,1-3H3

InChIKey

InChIKey=MGPMEYRPZPIHIL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2-[(2-nitrophenyl)methylene]-3-oxo-, 2-methylpropyl ester
  • 2-Methylpropyl 2-[(2-nitrophenyl)methylene]-3-oxobutanoate
  • Isobutyl 2-(2-nitrobenzylidene)acetoacetate

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