2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione

CAS Registry Number®

88007-99-2
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CAS Name

2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione

Molecular Formula

C19H13NO5

Molecular Mass

335.31

Cite this Page

2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88007-99-2 (retrieved 2024-08-15) (CAS RN: 88007-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-166 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H13NO5/c1-11-16(19(23)15-5-3-2-4-14(15)18(11)22)10-17(21)12-6-8-13(9-7-12)20(24)25/h2-9H,10H2,1H3

InChIKey

InChIKey=HOUITNAJHFPESJ-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C(C)=C1CC(=O)C3=CC=C(N(=O)=O)C=C3)=CC=CC2

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C(=C1C)CC(=O)C3=CC=C(C=C3)N(=O)=O

Other Names for this Substance

  • 1,4-Naphthalenedione, 2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-
  • 2-Methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,4-naphthalenedione
  • 2-Methyl-3-(4-nitrophenacyl)-1,4-naphthoquinone