EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H10ClN3O2 |
| Net Charge | 0 |
| Average Mass | 299.717 |
| Monoisotopic Mass | 299.04615 |
| SMILES | O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Cl)cc3)nn2)cc1 |
| InChI | InChI=1S/C15H10ClN3O2/c16-12-5-1-10(2-6-12)14-9-15(18-17-14)11-3-7-13(8-4-11)19(20)21/h1-9H,(H,17,18) |
| InChIKey | QSWCWEZCOFJLMS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole (CHEBI:115104) is a pyrazoles (CHEBI:26410) |
| 5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole (CHEBI:115104) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26565 | LINCS |