Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ncc(cn1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O |
SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C12H9Cl2N5O3/c13-8-2-9(7(11(15)20)1-10(8)19(21)22)16-3-6-4-17-12(14)18-5-6/h1-2,4-5,16H,3H2,(H2,15,20) |
InChIKey | InChI | 1.03 | FZWJCGAXJODLPL-UHFFFAOYSA-N |