7IB
Summary
| Name: | 8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid |
| Formula: | C14 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 274.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | AHGXWTCIRIDJEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1CCCC(=O)O)ccc(n2)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1CCCC(=O)O)ccc(n2)C(=O)O)N |
