Nitecapone
CAS Registry Number®
116313-94-1
CAS Name
NitecaponeMolecular Formula
C12H11NO6Molecular Mass
265.22Cite this Page
Nitecapone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=116313-94-1 (retrieved ) (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