Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C(Nc1ccc(Cl)c(C(=O)O)c1)=C(C(=O)N2)c3cccc(Cl)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)ccc1Cl |
SMILES | CACTVS | 3.341 | OC(=O)c1cc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)ccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)C(=O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23) |
InChIKey | InChI | 1.03 | ONVZFCHLOZUXRP-UHFFFAOYSA-N |