W1M
Summary
| Name: | 3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid |
| Formula: | C12 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 245.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[(1-methylpyrazol-3-yl)carbonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18) |
| InChIKey | InChI | 1.03 | CGFLTCVMZJDNKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)C(=O)Nc2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cn1ccc(n1)C(=O)Nc2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O |
