Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)C(O)C(NC(=O)C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | CC(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC(CO)C(c1ccc(cc1)[N+](=O)[O-])O |
InChI | InChI | 1.03 | InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1 |
InChIKey | InChI | 1.03 | PIVQDUYOEIAFDM-GHMZBOCLSA-N |