Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N/N=C/c1c(cc(O)cc1O)C)Cc2cccc(OC)c2 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(CC(=O)N/N=C/c2c(C)cc(O)cc2O)c1 |
SMILES | CACTVS | 3.370 | COc1cccc(CC(=O)NN=Cc2c(C)cc(O)cc2O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1/C=N/NC(=O)Cc2cccc(c2)OC)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1C=NNC(=O)Cc2cccc(c2)OC)O)O |
InChI | InChI | 1.03 | InChI=1S/C17H18N2O4/c1-11-6-13(20)9-16(21)15(11)10-18-19-17(22)8-12-4-3-5-14(7-12)23-2/h3-7,9-10,20-21H,8H2,1-2H3,(H,19,22)/b18-10+ |
InChIKey | InChI | 1.03 | BVOFXQXPHVPLFB-VCHYOVAHSA-N |