NIX
Summary
| Name: | NALIDIXIC ACID |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(nc(cc1)C)N(C=C2C(=O)O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12 |
| SMILES | CACTVS | 3.341 | CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
