Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(Cl)c1)Nc2ccc3nonc3c2[N+]([O-])=O |
InChI | InChI | 1.03 | InChI=1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H |
InChIKey | InChI | 1.03 | CDQUJZKBRAFWNG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc3nonc13 |
SMILES | CACTVS | 3.370 | [O-][N+](=O)c1c(Nc2cc(F)cc(Cl)c2)ccc3nonc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F |