| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(N)Cc2ccc(Oc1cc(ccc1[N+]([O-])=O)C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O4/c1-10-2-7-14(19(21)22)15(8-10)23-12-5-3-11(4-6-12)9-13(17)16(18)20/h2-8,13H,9,17H2,1H3,(H2,18,20)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | YQBKHPZUMXXXFB-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(Oc2ccc(C[C@@H](N)C(N)=O)cc2)c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(c(Oc2ccc(C[CH](N)C(N)=O)cc2)c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)Oc2ccc(cc2)C[C@H](C(=O)N)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)N)N)[N+](=O)[O-] |
