Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)c2c(c(O)ccc2c3ccc(cc3)O)\C=N\O |
InChI | InChI | 1.03 | InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+ |
InChIKey | InChI | 1.03 | SFUGTTJDFJMSGN-RGVLZGJSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O/N=C/c1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | ON=Cc1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)C=NO)O)O |