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Substance Name: 3(2H)-Benzoxazolepropanoic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-
RN: 72796-92-0
InChIKey: CHDGOGCTVGHNTQ-HOYZAGQZSA-N

Molecular Formula

  • C22-H19-N3-O7-S

Molecular Weight

  • 469.4721
 
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Names and Synonyms

Synonym

  • 2-(2-(3-Methyl-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene)ethylidene)-3-benzoxazolinepropionic acid

Systematic Names

  • 3(2H)-Benzoxazolepropanoic acid, 2-((1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-
  • 3(2H)-Benzoxazolepropanoic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-

Registry Numbers

CAS Registry Number

  • 72796-92-0

System Generated Number

  • 0072796920

Structure Descriptors

InChI

1S/C22H19N3O7S/c1-14-17(22(28)25(23-14)15-6-8-16(9-7-15)33(29,30)31)10-11-20-24(13-12-21(26)27)18-4-2-3-5-19(18)32-20/h2-11H,12-13H2,1H3,(H,26,27)(H,29,30,31)/b17-10-,20-11-

InChIKey

CHDGOGCTVGHNTQ-HOYZAGQZSA-N

Smiles

CC\1=NN(C(=O)/C1=C\C=C/2\N(c3ccccc3O2)CCC(=O)O)c4ccc(cc4)S(=O)(=O)O