| PDB CCD ID: | B25 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H8 N4 O2 |
| InChI: | InChI=1S/C9H8N4O2/c10-9(11)8-4-5-3-6(13(14)15)1-2-7(5)12-8/h1-4,12H,(H3,10,11) |
| InChIKey: | ZFLOQYGDSBVASK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | [H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N | | ACDLabs 12.01 | [O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N | | OpenEye OEToolkits 1.7.0 | c1cc2c(cc1[N+](=O)[O-])cc([nH]2)C(=N)N | | CACTVS 3.370 | NC(=N)c1[nH]c2ccc(cc2c1)[N+]([O-])=O |
|
| Name: | 5-nitro-1H-indole-2-carboximidamide;
5-nitro-1H-indole-2-amidine |
| ZINC: | ZINC000066167001 |
zhanggroup.org