Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3\C=C\C(=O)NO)=O |
InChI | InChI | 1.03 | InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+ |
InChIKey | InChI | 1.03 | URROCBSFNUKVTR-CCEZHUSRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)/C=C/c1ccccc1NC(=O)c2ccccc2Oc3ccccc3 |
SMILES | CACTVS | 3.385 | ONC(=O)C=Cc1ccccc1NC(=O)c2ccccc2Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3C=CC(=O)NO |