KED
Summary
| Name: | [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| Formula: | C10 H10 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 239.164 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | (2-oxidanylidene-1~{H}-quinolin-4-yl)methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(=O)C=C(CP(=O)(O)O)c1ccccc1N2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | KAIABXRDJQYKQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CC1=CC(=O)Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O |
