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Substance Name: 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
RN: 128924-92-5
InChIKey: FURLMJAWKCZJLD-UHFFFAOYSA-N

Molecular Formula

  • C22-H33-N5-O8

Molecular Weight

  • 495.53
 
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Names and Synonyms

Name of Substance

  • 12(4-Nitrobenzyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid

Synonyms

  • 12-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclotridecane-1,4,7-triacetic acid
  • 12-Nbtata

Systematic Name

  • 1,4,7,10-Tetraazacyclotridecane-1,4,7-triacetic acid, 12-((4-nitrophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 128924-92-5

System Generated Number

  • 0128924925

Structure Descriptors

InChI

1S/C22H33N5O8/c28-20(29)14-24-6-5-23-12-18(11-17-1-3-19(4-2-17)27(34)35)13-26(16-22(32)33)10-9-25(8-7-24)15-21(30)31/h1-4,18,23H,5-16H2,(H,28,29)(H,30,31)(H,32,33)

InChIKey

FURLMJAWKCZJLD-UHFFFAOYSA-N

Smiles

C1[N@@](C[C@@H](CNCC[N@@](CC[N@@](C1)CC(=O)O)CC(=O)O)Cc1ccc(cc1)[N+](=O)[O-])CC(=O)O