MRE
Summary
| Name: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID |
| Synonyms: | METHYL RED |
| Formula: | C15 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 269.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-dimethylaminophenyl)diazenylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.341 | CN(C)c1ccc(cc1)N=Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+ |
| InChIKey | InChI | 1.03 | CEQFOVLGLXCDCX-WUKNDPDISA-N |
