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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid
ChEBI ID CHEBI:91578
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H13BrF2N2O4
Net Charge 0
Average Mass 415.186
Monoisotopic Mass 414.00268
InChI InChI=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)
InChIKey BNYDDAAZMBUFRG-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1NC(=O)CC(C(=O)O)N)OC2=CC(=C(C=C2Br)F)F
ChEBI Ontology
Outgoing 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 Xref Database
LSM-1382 LINCS
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