| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-] |
| InChI | InChI | 1.03 | InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HFCHIMDWTVTIEA-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)OCc1cccc(c1)N=[N+]=[N-])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCCC(C(=O)O)N |
