Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc3ccc(/C(c1c(cc(cc1)O)O)=N\c2c(C)cccc2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+ |
InChIKey | InChI | 1.03 | VXKQHCLQGKBGDO-QZQOTICOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O |
SMILES | CACTVS | 3.385 | Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3O)O |