Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3cccc1c3O/C(C1=O)=C\c2ccc(O)cc2O)N |
InChI | InChI | 1.03 | InChI=1S/C16H11NO5/c17-16(21)11-3-1-2-10-14(20)13(22-15(10)11)6-8-4-5-9(18)7-12(8)19/h1-7,18-19H,(H2,17,21)/b13-6- |
InChIKey | InChI | 1.03 | IANCBPDHSPOPRZ-MLPAPPSSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)\C(Oc12)=C\c3ccc(O)cc3O |
SMILES | CACTVS | 3.385 | NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(O)cc3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3O)O)/C2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3O)O)C2=O |