QDD
Summary
| Name: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid |
| Formula: | C12 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.219 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azanyl-4-(2-hydroxy-2-oxoethyl)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H10N2O4/c13-8-3-1-2-7-6(5-10(15)16)4-9(12(17)18)14-11(7)8/h1-4H,5,13H2,(H,15,16)(H,17,18) |
| InChIKey | InChI | 1.06 | GLEDWRQWHYYQNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(CC(O)=O)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)CC(=O)O |
