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Substance Name: N(1)-Nitroso-3-nitromethylindole
RN: 99208-91-0
InChIKey: YSDDQRUOEFOQBD-UHFFFAOYSA-N

Note

  • Nitrosation product of gramine.

Molecular Formula

  • C9-H7-N3-O3

Molecular Weight

  • 205.172
 
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Names and Synonyms

Name of Substance

  • N(1)-Nitroso-3-nitromethylindole

Synonyms

  • 3-(Nitromethyl)-1-nitroso-1H-indole
  • NNNMI

Systematic Name

  • 1H-Indole, 3-(nitromethyl)-1-nitroso-

Registry Numbers

CAS Registry Number

  • 99208-91-0

System Generated Number

  • 0099208910

Structure Descriptors

InChI

1S/C9H7N3O3/c13-10-11-5-7(6-12(14)15)8-3-1-2-4-9(8)11/h1-5H,6H2

InChIKey

YSDDQRUOEFOQBD-UHFFFAOYSA-N

Smiles

c1cc2n(cc(c2cc1)C[N+]([O-])=O)N=O