Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc2ccccc2C(=O)c1cc([N+]([O-])=O)c(O)c(O)c1 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccccc2F |
SMILES | CACTVS | 3.370 | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F |
InChI | InChI | 1.03 | InChI=1S/C13H8FNO5/c14-9-4-2-1-3-8(9)12(17)7-5-10(15(19)20)13(18)11(16)6-7/h1-6,16,18H |
InChIKey | InChI | 1.03 | RQPAUNZYTYHKHA-UHFFFAOYSA-N |