Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17) |
InChIKey | InChI | 1.03 | HMRCSSLTJXSSFR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O |
SMILES | CACTVS | 3.385 | Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C |