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Substance Name: Benzo(a)pyrene-6-carbonitrile, 3-nitro-
RN: 143265-29-6
InChIKey: DIFBFDGFCNZAOW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H10-N2-O2

Molecular Weight

  • 322.322
 
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Names and Synonyms

Synonyms

  • 3-Nitro-6-cyanobenzo(a)pyrene
  • 3-Nitrobenzo(a)pyrene-6-carbonitrile

Systematic Name

  • Benzo(a)pyrene-6-carbonitrile, 3-nitro-

Registry Numbers

CAS Registry Number

  • 143265-29-6

System Generated Number

  • 0143265296

Structure Descriptors

InChI

1S/C21H10N2O2/c22-11-18-14-4-2-1-3-13(14)15-7-5-12-6-10-19(23(24)25)17-9-8-16(18)21(15)20(12)17/h1-10H

InChIKey

DIFBFDGFCNZAOW-UHFFFAOYSA-N

Smiles

c12c(c(c3ccc4c(ccc5ccc1c3c45)[N+](=O)[O-])C#N)cccc2