C8O
Summary
| Name: | 2-(2-azanylethylamino)-5-nitro-benzoic acid |
| Formula: | C9 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 225.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(2-azanylethylamino)-5-nitro-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O4/c10-3-4-11-8-2-1-6(12(15)16)5-7(8)9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14) |
| InChIKey | InChI | 1.03 | PGIQBPZLZVDGHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NCCNc1ccc(cc1C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN |
