QVE
Summary
| Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
| Formula: | C12 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 262.218 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | ISBWTKCQKHNORE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O |
