683
Summary
| Name: | 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid |
| Formula: | C15 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 271.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(2-carboxyphenyl)amino]-5-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c(Nc1ccc(cc1C(=O)O)C)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO4/c1-9-6-7-13(11(8-9)15(19)20)16-12-5-3-2-4-10(12)14(17)18/h2-8,16H,1H3,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | KLVTUYAKQNFRLK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(Nc2ccccc2C(O)=O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1ccc(Nc2ccccc2C(O)=O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O |
