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Substance Name: Methyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)beta-alaninate
RN: 94108-94-8
InChIKey: PBUMZYFAPJBJMW-OCOZRVBESA-N

Molecular Formula

  • C20-H21-Br-N6-O8

Molecular Weight

  • 553.3239
 
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Names and Synonyms

Synonym

  • EINECS 302-431-2

Systematic Name

  • Methyl N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)beta-alaninate

Registry Numbers

CAS Registry Number

  • 94108-94-8

System Generated Number

  • 0094108948

Structure Descriptors

InChI

1S/C20H21BrN6O8/c1-4-35-18-10-15(14(23-11(2)28)9-16(18)22-6-5-19(29)34-3)24-25-20-13(21)7-12(26(30)31)8-17(20)27(32)33/h7-10,22H,4-6H2,1-3H3,(H,23,28)/b25-24+

InChIKey

PBUMZYFAPJBJMW-OCOZRVBESA-N

Smiles

c1(c(/N=N/c2c(cc(c(c2)OCC)NCCC(=O)OC)NC(=O)C)c(cc([N+](=O)[O-])c1)Br)[N+](=O)[O-]