EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:93757 - 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
| Formula | C14H13BrN2O |
| Net Charge | 0 |
| Average Mass | 305.175 |
| Monoisotopic Mass | 304.02113 |
| SMILES | CC(C)(C)c1cc(C=C(C#N)C#N)cc(Br)c1O |
| InChI | InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3 |
| InChIKey | ABBADGFSRBWENF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile (CHEBI:93757) is a alkylbenzene (CHEBI:38976) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4262 | LINCS |