Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2ccccc2NC(=O)COc1ccccc1P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C14H13ClNO5P/c15-10-5-1-2-6-11(10)16-14(17)9-21-12-7-3-4-8-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20) |
InChIKey | InChI | 1.03 | JDDBBUHKLPKHEI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl |
SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl |