4NO
Summary
| Name: | 4-nitro-2-phosphonobenzoic acid |
| Formula: | C7 H6 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 247.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitro-2-phosphonobenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-nitro-2-phosphono-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(c(C(=O)O)cc1)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H6NO7P/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | PFWUFGANONPVGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O |
