| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(cc2c(cc1)nc(n2)Cc3ccccc3)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O2/c18-17(19)11-6-7-12-13(9-11)16-14(15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) |
| InChIKey | InChI | 1.03 | UMWIVOZCYNITGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]c(Cc3ccccc3)nc2c1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]c(Cc3ccccc3)nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2[nH]c3ccc(cc3n2)[N+](=O)[O-] |
