EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91578 - 2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid

Default Structure
ChEBI IDCHEBI:91578
ChEBI Name2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid
Stars
DownloadsMolfile
FormulaC16H13BrF2N2O4
Net Charge0
Average Mass415.190
Monoisotopic Mass414.00268
SMILESNC(CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O
InChIInChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)
InChIKeyBNYDDAAZMBUFRG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid (CHEBI:91578) is a aromatic ether (CHEBI:35618)
2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid (CHEBI:91578) is a organobromine compound (CHEBI:37141)
Manual XrefsDatabases
LSM-1382LINCS