Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | P(O)(OCc1ccc(cc1)\N=N\c2ccc(cc2)CO)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+ |
InChIKey | InChI | 1.03 | VKJQDDQQGBKCEZ-FOCLMDBBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2 |
SMILES | CACTVS | 3.385 | OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CO)N=Nc2ccc(cc2)COP(=O)(O)O |