Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O |
InChI | InChI | 1.06 | InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18) |
InChIKey | InChI | 1.06 | YYVSYARVIWSRBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(F)c2 |
SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F)Cl |