Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1nc(on1)c1ccc(Cl)cc1NC(=O)C=1CCCC=1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C16H14ClN3O4/c1-8-18-15(24-20-8)12-6-5-9(17)7-13(12)19-14(21)10-3-2-4-11(10)16(22)23/h5-7H,2-4H2,1H3,(H,19,21)(H,22,23) |
InChIKey | InChI | 1.06 | ITTMFAALHYWDBB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1noc(n1)c2ccc(Cl)cc2NC(=O)C3=C(CCC3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(on1)c2ccc(cc2NC(=O)C3=C(CCC3)C(=O)O)Cl |