7DM
Summary
| Name: | 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid |
| Formula: | C10 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 205.167 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-oxidanyl-2-oxidanylidene-1H-quinoline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccc1c(C(O)=CC(=O)N1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO4/c12-8-4-9(13)11-7-2-1-5(10(14)15)3-6(7)8/h1-4H,(H,14,15)(H2,11,12,13) |
| InChIKey | InChI | 1.03 | RPPMJWDFCWLZHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)C=C(O)c2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)C=C(O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1C(=O)O)C(=CC(=O)N2)O |
