| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c4cccc(\N=C1\N=CCC(=N1)c2cc(ccc2)Cn3ncnc3)c4 |
| InChI | InChI | 1.03 | InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19- |
| InChIKey | InChI | 1.03 | PLQVWKCQWFFUFJ-NMWGTECJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cccc(c1)N=C2N=CCC(=N2)c3cccc(Cn4cncn4)c3 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cccc(c1)N=C2N=CCC(=N2)c3cccc(Cn4cncn4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1cc(cc(c1)C2=N/C(=N\c3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4 |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1cc(cc(c1)C2=NC(=Nc3cccc(c3)[N+](=O)[O-])N=CC2)Cn4cncn4 |
