Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(Cl)c2 |
InChI | InChI | 1.03 | InChI=1S/C13H11ClN2O4/c14-8-3-1-2-7(6-8)4-5-9-10(12(18)19)15-13(20)16-11(9)17/h1-3,6H,4-5H2,(H,18,19)(H2,15,16,17,20) |
InChIKey | InChI | 1.03 | QORUWPNKQKIBAJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc(Cl)c2)C(=O)NC(=O)N1 |
SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc(Cl)c2)C(=O)NC(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)CCC2=C(NC(=O)NC2=O)C(=O)O |