4NB
Summary
| Name: | 4-NITROBENZOIC ACID |
| Synonyms: | PARA NITROBENZOIC ACID |
| Formula: | C7 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 167.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-nitrobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1ccc(C(=O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
