CHEBI:105749 - 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]-2-furanyl]benzoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]-2-furanyl]benzoic acid ethyl ester
ChEBI ID CHEBI:105749
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H15ClN2O5
Net Charge 0
Average Mass 410.808
Monoisotopic Mass 410.06695
InChI InChI=1S/C21H15ClN2O5/c1-3-28-21(27)15-8-12(4-6-17(15)22)18-7-5-13(29-18)9-14-11(2)16(10-23)20(26)24-19(14)25/h4-9H,3H2,1-2H3,(H,24,25,26)
InChIKey WJDZZRSELRBXOP-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=C(C(=O)NC3=O)C#N)C)Cl
ChEBI Ontology
Outgoing 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]-2-furanyl]benzoic acid ethyl ester (CHEBI:105749) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-17111 LINCS
View more database links