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Substance Name: Benzo(a)pyrene, 4,5-dihydro-6-nitro-
RN: 97931-39-0
InChIKey: OWKQOIGGVHVVQP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H13-N-O2

Molecular Weight

  • 299.328
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-6-nitrobenzo(a)pyrene
  • 6-Nitro-4,5-dihydrobenzo(a)pyrene
  • CCRIS 5866

Systematic Names

  • 6-Nitro-4,5-dihydrobenzo(a)pyrene
  • Benzo(a)pyrene, 4,5-dihydro-6-nitro-

Registry Numbers

CAS Registry Number

  • 97931-39-0

System Generated Number

  • 0097931390

Structure Descriptors

InChI

1S/C20H13NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-8,10H,9,11H2

InChIKey

OWKQOIGGVHVVQP-UHFFFAOYSA-N

Smiles

c12c3c4ccc1c1c(cccc1)c(c2CCc3ccc4)[N+](=O)[O-]