EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N5O4 |
| Net Charge | +1 |
| Average Mass | 370.389 |
| Monoisotopic Mass | 370.15098 |
| SMILES | C[n+]1ccccc1C1CCCCC1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChI | InChI=1S/C18H20N5O4/c1-21-11-5-4-8-17(21)14-6-2-3-7-15(14)19-20-16-10-9-13(22(24)25)12-18(16)23(26)27/h4-5,8-12,14,20H,2-3,6-7H2,1H3/q+1 |
| InChIKey | WOJYSKMQJAIHRX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[2-(1-methyl-2-pyridin-1-iumyl)cyclohexylidene]amino]-2,4-dinitroaniline (CHEBI:104149) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15508 | LINCS |