CW3
Summary
| Name: | 3-nitro-4-(propylamino)benzoic acid |
| Synonyms: | 68740-31-8 |
| Formula: | C10 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 224.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-nitro-4-(propylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | OVDGUTHABMXVMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O |
