EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18N4O3 |
| Net Charge | 0 |
| Average Mass | 314.345 |
| Monoisotopic Mass | 314.13789 |
| SMILES | CN1CCN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 |
| InChI | InChI=1S/C16H18N4O3/c1-18-8-10-19(11-9-18)17-12-15-6-7-16(23-15)13-2-4-14(5-3-13)20(21)22/h2-7,12H,8-11H2,1H3 |
| InChIKey | HDXLSHZNIRHIJG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-methyl-1-piperazinyl)-1-[5-(4-nitrophenyl)-2-furanyl]methanimine (CHEBI:111286) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22742 | LINCS |