EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H11N3O2 |
| Net Charge | 0 |
| Average Mass | 241.250 |
| Monoisotopic Mass | 241.08513 |
| SMILES | N#CC1CCCc2c1nc1ccc([N+](=O)[O-])cc21 |
| InChI | InChI=1S/C13H11N3O2/c14-7-8-2-1-3-10-11-6-9(16(17)18)4-5-12(11)15-13(8)10/h4-6,8,15H,1-3H2 |
| InChIKey | ZQXSMKCINAMFOJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile (CHEBI:113262) is a carbazoles (CHEBI:48513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24673 | LINCS |