Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O |
InChI | InChI | 1.03 | InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | FBTSQILOGYXGMD-LURJTMIESA-N |