Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2OC |
InChI | InChI | 1.03 | InChI=1S/C14H14N2O5/c1-21-10-5-3-2-4-8(10)6-7-9-11(13(18)19)15-14(20)16-12(9)17/h2-5H,6-7H2,1H3,(H,18,19)(H2,15,16,17,20) |
InChIKey | InChI | 1.03 | JZYBTHRIIGVDDH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O |
SMILES | CACTVS | 3.370 | COc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccccc1CCC2=C(NC(=O)NC2=O)C(=O)O |