| PDB CCD ID: | BRS |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C14 H11 Cl N2 O5 |
| InChI: | InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1 |
| InChIKey: | MOZUMFSUQQHSCO-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | C[CH](c1ccc(Cl)cc1)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | C[C@H](c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-] | | ACDLabs 10.04 | Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C | | OpenEye OEToolkits 1.5.0 | CC(c1ccc(cc1)Cl)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-] | | CACTVS 3.341 | C[C@H](c1ccc(Cl)cc1)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O |
|
| Name: | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL;
DNP-19 |
| DrugBank: | DB07490 |
| ZINC: | ZINC000002043435 |
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