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Substance Name: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, tert-butyl ester
RN: 22996-62-9
InChIKey: BOPGHMJTSIFKBY-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H14-N2-O6

Molecular Weight

  • 294.262
 
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Names and Synonyms

Synonym

  • 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid tert-butyl ester

Systematic Name

  • 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, tert-butyl ester

Registry Numbers

CAS Registry Number

  • 22996-62-9

System Generated Number

  • 0022996629

Structure Descriptors

InChI

1S/C13H14N2O6/c1-7-10(12(16)20-13(2,3)4)11(14-21-7)8-5-6-9(19-8)15(17)18/h5-6H,1-4H3

InChIKey

BOPGHMJTSIFKBY-UHFFFAOYSA-N

Smiles

c1(c(C(OC(C)(C)C)=O)c(C)on1)c1oc([N+](=O)[O-])cc1