Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26) |
InChIKey | InChI | 1.03 | MXKVATSZRALAIN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(NC(=O)c3ccc(O)cc3)ccc2O |
SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(NC(=O)c3ccc(O)cc3)ccc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O |