HNS
Summary
| Name: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| Formula: | C13 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 6-(2-methylphenyl)-3-oxidanyl-4-oxidanylidene-1~{H}-pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18) |
| InChIKey | InChI | 1.03 | XRLUBEBGQPTVFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O |
