EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:121956 - 4-[2-[2-[(3-carboxy-1-oxoprop-2-enyl)amino]phenyl]anilino]-4-oxo-2-butenoic acid
| Formula | C20H16N2O6 |
| Net Charge | 0 |
| Average Mass | 380.356 |
| Monoisotopic Mass | 380.10084 |
| SMILES | O=C(O)C=CC(=O)Nc1ccccc1-c1ccccc1NC(=O)C=CC(=O)O |
| InChI | InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-7-3-1-5-13(15)14-6-2-4-8-16(14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28) |
| InChIKey | MJBKJMRZCXDVGX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[2-[2-[(3-carboxy-1-oxoprop-2-enyl)amino]phenyl]anilino]-4-oxo-2-butenoic acid (CHEBI:121956) is a biphenyls (CHEBI:22888) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33399 | LINCS |