| PDB CCD ID: | I1X |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C19 H23 N4 O4 |
| InChI: | InChI=1S/C19H22N4O4/c1-15-8-9-16(13-18(15)23(26)27)19(24)20-10-4-2-5-11-22-12-6-3-7-17(22)14-21-25/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,20,24)/p+1 |
| InChIKey: | GLQZXKLUIAIZJA-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCCCC[n+]2ccccc2C=NO | | CACTVS 3.385 | Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2C=NO | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1[N+](=O)[O-])C(=O)NCCCCC[n+]2ccccc2/C=N/O | | CACTVS 3.385 | Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2\C=N\O |
|
| Name: | 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide |
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