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Substance Name: 3-(4-(2-(Diethylamino)ethoxy)phenyl)-2-(4-methoxyphenyl)acrylonitrile 2-hydroxy-1,2,3-propanetricarboxylate
RN: 1182-31-6
InChIKey: MOGWYXBAWHKNCV-QTNJPTFUSA-N

Molecular Formula

  • C22-H26-N2-O2.C6-H8-O7

Molecular Weight

  • 542.5816
 
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Names and Synonyms

Synonym

  • NSC 59476

Systematic Name

  • 3-(4-(2-(Diethylamino)ethoxy)phenyl)-2-(4-methoxyphenyl)acrylonitrile 2-hydroxy-1,2,3-propanetricarboxylate

Registry Numbers

CAS Registry Number

  • 1182-31-6

System Generated Number

  • 0001182316

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O2.C6-H8-O7

Molecular Formula Fragments

  • C22-H26-N2-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O2.C6H8O7/c1-4-24(5-2)14-15-26-22-10-6-18(7-11-22)16-20(17-23)19-8-12-21(25-3)13-9-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-13,16H,4-5,14-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b20-16+;

InChIKey

MOGWYXBAWHKNCV-QTNJPTFUSA-N

Smiles

CCN(CC)CCOc1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O