EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H14F6N2O2 |
| Net Charge | 0 |
| Average Mass | 416.321 |
| Monoisotopic Mass | 416.09595 |
| SMILES | O=C(NCc1ccccc1C(F)(F)F)C1CC(c2ccc(C(F)(F)F)cc2)=NO1 |
| InChI | InChI=1S/C19H14F6N2O2/c20-18(21,22)13-7-5-11(6-8-13)15-9-16(29-27-15)17(28)26-10-12-3-1-2-4-14(12)19(23,24)25/h1-8,16H,9-10H2,(H,26,28) |
| InChIKey | JPZOTGNIUZTQCM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide (CHEBI:108547) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19921 | LINCS |