Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21) |
InChIKey | InChI | 1.03 | WDYTXQOHLZPDFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O |