LGR
Summary
| Name: | 2-[acetyl(methyl)amino]benzoic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[acetyl(methyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[ethanoyl(methyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C(C)=O)c1ccccc1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | VCOQVAJFXPHUAM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(C)=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C(C)=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N(C)c1ccccc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(C)c1ccccc1C(=O)O |
