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 |