| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)c2c(cnc(c2)C(O)=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | NBVHLJGGHJLTGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2cc(ncc2C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2cc(ncc2C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O |
