T6Z
Summary
| Name: | [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| Formula: | C11 H12 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 253.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | (1-methyl-2-oxidanylidene-quinolin-4-yl)methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN2C(C=C(CP(O)(=O)O)c1ccccc12)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16) |
| InChIKey | InChI | 1.03 | LOQZOOPJJBKDAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2C(=CC1=O)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2C(=CC1=O)CP(=O)(O)O |
