Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2)CO |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1 |
InChIKey | InChI | 1.03 | CDEURGJCGCHYFH-DJLDLDEBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#C)C(=O)NC2=O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](C[CH]1O)N2C=C(C#C)C(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O |