QVS
Summary
| Name: | 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid |
| Formula: | C10 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.182 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H8N2O3/c11-6-3-1-2-5-8(13)4-7(10(14)15)12-9(5)6/h1-4H,11H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | KZBXAHDVCSOKJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2c(O)cc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1cccc2c(O)cc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)O |
