| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1cccc(c1)c2cn(CB(OP(=O)(O)O)O)nn2)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11BN3O7P/c15-10(16)8-3-1-2-7(4-8)9-5-14(13-12-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H,15,16)(H2,18,19,20) |
| InChIKey | InChI | 1.03 | HJSPORKXLABRNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(Cn1cc(nn1)c2cccc(c2)C(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | OB(Cn1cc(nn1)c2cccc(c2)C(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(Cn1cc(nn1)c2cccc(c2)C(=O)O)(O)OP(=O)(O)O |
