EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H12N6O2 |
| Net Charge | 0 |
| Average Mass | 356.345 |
| Monoisotopic Mass | 356.10217 |
| SMILES | N#CC1=C(N)N(c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C1(C#N)C#N |
| InChI | InChI=1S/C19H12N6O2/c20-10-16-18(23)24(14-6-2-1-3-7-14)17(19(16,11-21)12-22)13-5-4-8-15(9-13)25(26)27/h1-9,17H,23H2 |
| InChIKey | RSKVNGROIVCQOQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile (CHEBI:111267) is a pyrroline (CHEBI:23763) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22723 | LINCS |