Nitecapone

CAS Registry Number®

116313-94-1
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CAS Name

Nitecapone

Molecular Formula

C12H11NO6

Molecular Mass

265.22

Cite this Page

Nitecapone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116313-94-1 (retrieved 2024-04-25) (CAS RN: 116313-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3

InChIKey

InChIKey=UPMRZALMHVUCIN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C(=CC=1C=C(O)C(O)=C(C1)N(=O)=O)C(=O)C)C

Other Names for this Substance

  • 2,4-Pentanedione, 3-[(3,4-dihydroxy-5-nitrophenyl)methylene]-
  • 3-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-2,4-pentanedione
  • OR 462
  • Nitecapone
  • 3-[(3,4-Dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione

CAS INSIGHTSTM
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