Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H13ClN2O3/c19-13-3-1-2-12(8-13)10-16-20-15-9-11(5-7-17(22)23)4-6-14(15)18(24)21-16/h1-9H,10H2,(H,22,23)(H,20,21,24)/b7-5+ |
InChIKey | InChI | 1.06 | KEGRPGVWIWPWFS-FNORWQNLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc2C(=O)NC(=Nc2c1)Cc3cccc(Cl)c3 |
SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc2C(=O)NC(=Nc2c1)Cc3cccc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC2=Nc3cc(ccc3C(=O)N2)/C=C/C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CC2=Nc3cc(ccc3C(=O)N2)C=CC(=O)O |