EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14ClNO3 |
| Net Charge | 0 |
| Average Mass | 279.723 |
| Monoisotopic Mass | 279.06622 |
| SMILES | COCCCN=C1C(=O)c2ccccc2C(=O)C1Cl |
| InChI | InChI=1S/C14H14ClNO3/c1-19-8-4-7-16-12-11(15)13(17)9-5-2-3-6-10(9)14(12)18/h2-3,5-6,11H,4,7-8H2,1H3 |
| InChIKey | TVWWZEZFEFMTNC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-chloro-3-(3-methoxypropylimino)naphthalene-1,4-dione (CHEBI:113118) is a cyclic ketone (CHEBI:3992) |
| 2-chloro-3-(3-methoxypropylimino)naphthalene-1,4-dione (CHEBI:113118) is a imine (CHEBI:24783) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24528 | LINCS |