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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic amide > 2-butenedioic acid o4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester o1-ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic amide > 2-butenedioic acid o4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester o1-ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > aromatic amide > 2-butenedioic acid o4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester o1-ethyl ester

Preferred term

2-butenedioic acid o4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester o1-ethyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C13H13ClN2O5

inchi

  • InChI=1S/C13H13ClN2O5/c1-2-20-12(18)5-6-13(19)21-8-11(17)16-10-4-3-9(14)7-15-10/h3-7H,2,8H2,1H3,(H,15,16,17)

inchikey

  • ZLUVOUVYNMZCLJ-UHFFFAOYSA-N

mass

  • 312.706

monoisotopicmass

  • 312.05130

smiles

  • CCOC(=O)C=CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105471

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