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CHEBI:192670 - ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate
| Formula | C12H17N3O3 |
| Net Charge | 0 |
| Average Mass | 251.286 |
| Monoisotopic Mass | 251.12699 |
| SMILES | CCOC(=O)C(C#N)=CNC1CCCCNC1=O |
| InChI | InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8,10,15H,2-6H2,1H3,(H,14,16) |
| InChIKey | STXWFRGKRWKVHA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Valsa sordida (ncbitaxon:252740) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS4463) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate (CHEBI:192670) is a azepine (CHEBI:48105) |
| IUPAC Name |
|---|
| ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]prop-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 3022531 | ChemSpider |