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Substance Name: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl)-, 3-ethyl ester
RN: 68541-06-0
InChIKey: LPWLXKNBOCPXEE-WAYWQWQTSA-N

Molecular Formula

  • C21-H20-N4-O9-S

Molecular Weight

  • 504.474
 
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Names and Synonyms

Synonyms

  • 3-Carboxylic acid-4-(3-(1,3-dimethyl-2,4,6-(1H,3H,5H)-pyrimidinetrione-5-ylidene)-1-propenyl)-4,5-dihydo-5-oxo-1-(4-sulfophenyl)-pyrazole, 3-ethyl ester
  • EINECS 271-339-1

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propen-1-yl)-, 3-ethyl ester
  • 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1-propenyl)-, 3-ethyl ester
  • 3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-4-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)prop-1-enyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 68541-06-0

System Generated Number

  • 0068541060

Structure Descriptors

InChI

1S/C21H20N4O9S/c1-4-34-20(29)16-14(6-5-7-15-17(26)23(2)21(30)24(3)18(15)27)19(28)25(22-16)12-8-10-13(11-9-12)35(31,32)33/h5-11,14H,4H2,1-3H3,(H,31,32,33)/b6-5-

InChIKey

LPWLXKNBOCPXEE-WAYWQWQTSA-N

Smiles

O=C1N(C(=O)\C(C(=O)N1C)=C\C=C/[C@@H]1C(=O)N(N=C1C(=O)OCC)c1ccc(S(=O)(=O)O)cc1)C