Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccc(cc1)NC(=O)c3cnnc3c2c(O)cc(O)c(Cl)c2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)c1ccc(NC(=O)c2cn[nH]c2c3cc(Cl)c(O)cc3O)cc1 |
SMILES | CACTVS | 3.341 | CC(=O)c1ccc(NC(=O)c2cn[nH]c2c3cc(Cl)c(O)cc3O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H14ClN3O4/c1-9(23)10-2-4-11(5-3-10)21-18(26)13-8-20-22-17(13)12-6-14(19)16(25)7-15(12)24/h2-8,24-25H,1H3,(H,20,22)(H,21,26) |
InChIKey | InChI | 1.03 | BTTFXKUTBNGQTP-UHFFFAOYSA-N |