Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23 |
SMILES | CACTVS | 3.341 | OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25) |
InChIKey | InChI | 1.03 | WQWCUHJIERBOSM-UHFFFAOYSA-N |