EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H12N2O4 |
| Net Charge | 0 |
| Average Mass | 308.293 |
| Monoisotopic Mass | 308.07971 |
| SMILES | N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1 |
| InChI | InChI=1S/C17H12N2O4/c18-9-12(17(21)19-13-2-4-14(20)5-3-13)7-11-1-6-15-16(8-11)23-10-22-15/h1-8,20H,10H2,(H,19,21) |
| InChIKey | GRVPLNXGNWRXNH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-hydroxyphenyl)-2-propenamide (CHEBI:119792) is a cinnamamides (CHEBI:23247) |
| 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-hydroxyphenyl)-2-propenamide (CHEBI:119792) is a secondary carboxamide (CHEBI:140325) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31236 | LINCS |