K8D
Summary
| Name: | 4-(methylamino)benzene-1,2-dicarboxylic acid |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(methylamino)benzene-1,2-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-(methylamino)phthalic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(NC)ccc1C(O)=O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | WIVUEBNYALSDOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(C(O)=O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CNc1ccc(C(O)=O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNc1ccc(c(c1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNc1ccc(c(c1)C(=O)O)C(=O)O |
