EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H17ClN2O4 |
| Net Charge | 0 |
| Average Mass | 300.742 |
| Monoisotopic Mass | 300.08768 |
| SMILES | CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C13H17ClN2O4/c1-9(2)20-12(17)15-6-7-19-13(18)16-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | FHLOMVFBBXBFMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester (CHEBI:109232) is a carbamate ester (CHEBI:23003) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20629 | LINCS |