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Concept information

organooxygen compound > oxacycle > benzodioxoles > acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester

Preferred term

acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H13NO5

inchi

  • InChI=1S/C12H13NO5/c1-8(14)16-6-12(15)13-5-9-2-3-10-11(4-9)18-7-17-10/h2-4H,5-7H2,1H3,(H,13,15)

inchikey

  • DPBCQZKMQQPPFF-UHFFFAOYSA-N

mass

  • 251.236

monoisotopicmass

  • 251.07937

smiles

  • CC(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120580

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