JMS
Summary
| Name: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid |
| Synonyms: | meclofenamic acid |
| Formula: | C14 H11 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 296.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl |
| SMILES | CACTVS | 3.370 | Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | SBDNJUWAMKYJOX-UHFFFAOYSA-N |
