1-Nitrobenzo[e]pyrene

CAS Registry Number®

91259-16-4
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CAS Name

1-Nitrobenzo[e]pyrene

Molecular Formula

C20H11NO2

Molecular Mass

297.31

Cite this Page

1-Nitrobenzo[e]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91259-16-4 (retrieved 2024-07-30) (CAS RN: 91259-16-4).  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)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H

InChIKey

InChIKey=MXWQJYPMZBPDRV-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C2C3=C4C(C=5C2=CC=CC5)=CC=CC4=CC=C3C=C1

Canonical SMILES

O=N(=O)C1=CC=C2C=CC3=CC=CC=4C=5C=CC=CC5C1=C2C34

Other Names for this Substance

  • Benzo[e]pyrene, 1-nitro-
  • 1-Nitrobenzo[e]pyrene