3-Nitrobenzo[e]pyrene

CAS Registry Number®

81340-58-1

CAS Name

3-Nitrobenzo[e]pyrene

Molecular Formula

C20H11NO2

Molecular Mass

297.31

Cite this Page

3-Nitrobenzo[e]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81340-58-1 (retrieved 2024-11-22) (CAS RN: 81340-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H11NO2/c22-21(23)18-11-10-16-14-6-2-1-5-13(14)15-7-3-4-12-8-9-17(18)20(16)19(12)15/h1-11H

InChIKey

InChIKey=KUIZRZFISMTDJY-UHFFFAOYSA-N

SMILES

N(=O)(=O)C=1C=2C3=C4C(C=5C(C3=CC1)=CC=CC5)=CC=CC4=CC2

Canonical SMILES

O=N(=O)C=1C=CC2=C3C=CC=CC3=C4C=CC=C5C=CC1C2=C54

Other Names for this Substance

  • Benzo[e]pyrene, 3-nitro-
  • 3-Nitrobenzo[e]pyrene

CAS INSIGHTSTM
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