| PDB CCD ID: | WDU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H8 Cl2 N4 O3 |
| InChI: | InChI=1S/C11H8Cl2N4O3/c12-7-3-1-6(2-4-7)5-14-11(18)9-8(13)10(16-15-9)17(19)20/h1-4H,5H2,(H,14,18)(H,15,16) |
| InChIKey: | APWLSOMMVQHYQM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl | | ACDLabs 12.01 | Clc2c([N+]([O-])=O)nnc2C(=O)NCc1ccc(Cl)cc1 | | CACTVS 3.385 | [O-][N+](=O)c1[nH]nc(C(=O)NCc2ccc(Cl)cc2)c1Cl |
|
| Name: | 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide |
| ChEMBL: | CHEMBL1342833 |
| ZINC: | ZINC000004631372 |
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