Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cccc(c1)CNC(=O)c2ccc(F)cc2OCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H13FN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21) |
InChIKey | InChI | 1.03 | HOFFXZBMYHZMTN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | OC(=O)COc1cc(F)ccc1C(=O)NCc2cccc(c2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)F |