EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H16BrClN2O3 |
| Net Charge | 0 |
| Average Mass | 471.738 |
| Monoisotopic Mass | 470.00328 |
| SMILES | Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1-c1nc2cc(Cl)ccc2o1 |
| InChI | InChI=1S/C22H16BrClN2O3/c1-13-17(22-26-19-11-15(24)7-10-20(19)29-22)3-2-4-18(13)25-21(27)12-28-16-8-5-14(23)6-9-16/h2-11H,12H2,1H3,(H,25,27) |
| InChIKey | GOSPSWKLECDRSD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-bromophenoxy)-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CHEBI:93957) is a 1,3-oxazoles (CHEBI:46812) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4538 | LINCS |