A1ADF
Summary
| Name: | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
| Formula: | C15 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 269.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{E})-[4-(dimethylamino)phenyl]diazenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ |
| InChIKey | InChI | 1.06 | WCKQPPQRFNHPRJ-WUKNDPDISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)N=Nc2ccc(cc2)C(=O)O |
