4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-pentanone

CAS Registry Number®

1706456-93-0
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CAS Name

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-pentanone

Molecular Formula

C17H23NO5

Molecular Mass

321.37

Cite this Page

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-pentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1706456-93-0 (retrieved 2024-07-06) (CAS RN: 1706456-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23NO5/c1-12(16-22-10-17(2,3)11-23-16)7-8-15(19)13-5-4-6-14(9-13)18(20)21/h4-6,9,12,16H,7-8,10-11H2,1-3H3

InChIKey

InChIKey=CKDNIDWJPZOBQE-UHFFFAOYSA-N

SMILES

C(CCC(=O)C1=CC(N(=O)=O)=CC=C1)(C)C2OCC(C)(C)CO2

Canonical SMILES

O=C(C1=CC=CC(=C1)N(=O)=O)CCC(C)C2OCC(C)(C)CO2

Other Names for this Substance

  • 1-Pentanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-
  • 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-nitrophenyl)-1-pentanone