EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H15ClN2O4 |
| Net Charge | 0 |
| Average Mass | 394.814 |
| Monoisotopic Mass | 394.07203 |
| SMILES | O=C(COc1ccc(Cl)cc1)NC1=CC(=C2Nc3ccccc3O2)C(=O)C=C1 |
| InChI | InChI=1S/C21H15ClN2O4/c22-13-5-8-15(9-6-13)27-12-20(26)23-14-7-10-18(25)16(11-14)21-24-17-3-1-2-4-19(17)28-21/h1-11,24H,12H2,(H,23,26) |
| InChIKey | GNMHVUOKAXTZAH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-chlorophenoxy)acetamide (CHEBI:94072) is a 1,3-benzoxazoles (CHEBI:51548) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4675 | LINCS |