Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C |
InChI | InChI | 1.06 | InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21) |
InChIKey | InChI | 1.06 | DYYWPYAEACAPSR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(Cl)c(cc1F)c2cc3nc[nH]c3c(c2)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1cc(Cl)c(cc1F)c2cc3nc[nH]c3c(c2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1F)c2cc(c3c(c2)nc[nH]3)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1F)c2cc(c3c(c2)nc[nH]3)C(=O)O)Cl |