Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cc(OC)cc(OC)c2 |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O6/c1-22-9-5-8(6-10(7-9)23-2)3-4-11-12(14(19)20)16-15(21)17-13(11)18/h5-7H,3-4H2,1-2H3,(H,19,20)(H2,16,17,18,21) |
InChIKey | InChI | 1.03 | WVWPBPAOHICERF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc(OC)c1 |
SMILES | CACTVS | 3.370 | COc1cc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1)OC)CCC2=C(NC(=O)NC2=O)C(=O)O |