EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:95118 - 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
| Formula | C17H9Cl3N4O2 |
| Net Charge | 0 |
| Average Mass | 407.644 |
| Monoisotopic Mass | 405.97911 |
| SMILES | N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)nc2=O)cc1Cl |
| InChI | InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26) |
| InChIKey | ZSZFUDFOPOMEET-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile (CHEBI:95118) is a nitrile (CHEBI:18379) |