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Substance Name: Benzo(a)pyrene, 7,8-dihydro-3-nitro-
RN: 132742-04-2
InChIKey: LKDVEINPXRIPAY-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O2

Molecular Weight

  • 299.328
 
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Names and Synonyms

Synonyms

  • 3-Nitro-7,8-dihydrobenzo(a)pyrene
  • 7,8-Dihydro-3-nitrobenzo(a)pyrene
  • CCRIS 4099

Systematic Names

  • 3-Nitro-7,8-dihydrobenzo(a)pyrene
  • Benzo(a)pyrene, 7,8-dihydro-3-nitro-

Registry Numbers

CAS Registry Number

  • 132742-04-2

System Generated Number

  • 0132742042

Structure Descriptors

InChI

1S/C20H13NO2/c22-21(23)18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h2,4-11H,1,3H2

InChIKey

LKDVEINPXRIPAY-UHFFFAOYSA-N

Smiles

c12c(cc3ccc4c(ccc5ccc1c3c45)[N+](=O)[O-])CCC=C2