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Substance Name: Acetoxynitroestrone
RN: 22145-20-6
InChIKey: AHRLNCGQQIOJJS-HFUQMLBGSA-N

Molecular Formula

  • C20-H23-N-O6

Molecular Weight

  • 373.4027
 
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Names and Synonyms

Name of Substance

  • Acetoxynitroestrone

Systematic Name

  • Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-9-hydroxy-11-nitro-, (11beta)-

Registry Numbers

CAS Registry Number

  • 22145-20-6

System Generated Number

  • 0022145206

Structure Descriptors

InChI

1S/C20H23NO6/c1-10(22)27-19-17-11(9-15(23)18(19)21(25)26)3-4-12-13(17)7-8-20(2)14(12)5-6-16(20)24/h9,12-14,23H,3-8H2,1-2H3/t12-,13+,14+,20+/m1/s1

InChIKey

AHRLNCGQQIOJJS-HFUQMLBGSA-N

Smiles

CC(=O)Oc1c2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc(O)c1[N+](=O)[O-]