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Substance Name: Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-1-nitro-
RN: 115664-49-8
InChIKey: YXCUTAHELJGPFG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H11-N-O3

Molecular Weight

  • 313.311
 
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Names and Synonyms

Synonyms

  • 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene
  • CCRIS 1529

Systematic Names

  • 4,5-Epoxy-1-nitro-4,5-dihydrobenzo(e)pyrene
  • Benzo(9,10)pyreno(4,5-b)oxirene, 3b,4a-dihydro-1-nitro- (9CI)
  • Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-1-nitro-

Registry Numbers

CAS Registry Number

  • 115664-49-8

System Generated Number

  • 0115664498

Structure Descriptors

InChI

1S/C20H11NO3/c22-21(23)15-9-8-14-18-16-11(6-3-7-13(16)19-20(14)24-19)10-4-1-2-5-12(10)17(15)18/h1-9,19-20H

InChIKey

YXCUTAHELJGPFG-UHFFFAOYSA-N

Smiles

c1cc(c2c3c(c4cccc5[C@@H]6[C@@H](c1c2c45)O6)cccc3)[N+](=O)[O-]