CHEBI:107892 - 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester
ChEBI ID CHEBI:107892
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H13BrN2O5
Net Charge 0
Average Mass 441.232
Monoisotopic Mass 440.00079
InChI InChI=1S/C20H13BrN2O5/c21-16-11-10-13(12-17(16)23(26)27)20(25)28-18-9-5-4-8-15(18)19(24)22-14-6-2-1-3-7-14/h1-12H,(H,22,24)
InChIKey ONLMRIYNWGCRLQ-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]
ChEBI Ontology
Outgoing 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester (CHEBI:107892) is a carbonyl compound (CHEBI:36586)
Manual Xref Database
LSM-19269 LINCS
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