| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | XMTCOKGMBIHVBJ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-] |
