| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c(NCCCOC)cc(NCc1cccnc1)c(C(=O)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O |
| SMILES | CACTVS | 3.370 | COCCCNc1cc(NCc2cccnc2)c(cc1[N+]([O-])=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COCCCNc1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H21N5O4/c1-26-7-3-6-20-15-9-14(21-11-12-4-2-5-19-10-12)13(17(18)23)8-16(15)22(24)25/h2,4-5,8-10,20-21H,3,6-7,11H2,1H3,(H2,18,23) |
| InChIKey | InChI | 1.03 | IRKLIGPGIXNXTP-UHFFFAOYSA-N |
