Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1 |
SMILES | CACTVS | 3.341 | Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26) |
InChIKey | InChI | 1.03 | IGOULVZYQKJJKC-UHFFFAOYSA-N |