K8G
Summary
| Name: | 4-nitrobenzene-1,2-dicarboxylic acid |
| Formula: | C8 H5 N O6 |
| Formal charge: | 0 |
| Formula weight: | 211.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitrobenzene-1,2-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-nitrophthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O |
