| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | BBFQZRXNYIEMAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] |
