B25
Summary
| Name: | 5-nitro-1H-indole-2-carboximidamide |
| Synonyms: | 5-nitro-1H-indole-2-amidine |
| Formula: | C9 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-1H-indole-2-carboximidamide |
| OpenEye OEToolkits | 1.7.0 | 5-nitro-1H-indole-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1[nH]c2ccc(cc2c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | NC(=N)c1[nH]c2ccc(cc2c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1cc2cc(ccc2[nH]1)[N+](=O)[O-])\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1[N+](=O)[O-])cc([nH]2)C(=N)N |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ZFLOQYGDSBVASK-UHFFFAOYSA-N |
