| PDB CCD ID: | X75 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H10 Cl2 N4 O3 |
| InChI: | InChI=1S/C13H10Cl2N4O3/c14-9-4-10(8(13(16)20)3-11(9)19(21)22)17-5-7-1-2-12(15)18-6-7/h1-4,6,17H,5H2,(H2,16,20) |
| InChIKey: | JGCFEPVKTSZCHG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Clc1ncc(cc1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N | | CACTVS 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O | | OpenEye OEToolkits 1.7.0 | c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl |
|
| Name: | 4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide |
| ZINC: | ZINC000095920788 |
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