CHEBI:105471 - 2-butenedioic acid O4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester O1-ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-butenedioic acid O4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester O1-ethyl ester
ChEBI ID CHEBI:105471
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H13ClN2O5
Net Charge 0
Average Mass 312.706
Monoisotopic Mass 312.05130
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
SMILES CCOC(=O)C=CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl
ChEBI Ontology
Outgoing 2-butenedioic acid O4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester O1-ethyl ester (CHEBI:105471) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-16834 LINCS
View more database links