CHEBI:109487 - 4-[5-[[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[5-[[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester
ChEBI ID CHEBI:109487
Stars This entity has been manually annotated by a third party.
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Formula C20H16BrN3O4
Net Charge 0
Average Mass 442.263
Monoisotopic Mass 441.03242
InChI InChI=1S/C20H16BrN3O4/c1-2-27-20(26)14-5-3-13(4-6-14)18-8-7-17(28-18)12-23-24-19(25)15-9-16(21)11-22-10-15/h3-12H,2H2,1H3,(H,24,25)
InChIKey JBZPKMIVMICUKG-UHFFFAOYSA-N
SMILES CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)C3=CC(=CN=C3)Br
ChEBI Ontology
Outgoing 4-[5-[[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid ethyl ester (CHEBI:109487) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-20885 LINCS
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