Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H16N2O5/c1-27-18-10-9-12(20(24)23-26)11-16(18)22-21(25)15-7-4-6-14-13-5-2-3-8-17(13)28-19(14)15/h2-11,26H,1H3,(H,22,25)(H,23,24) |
InChIKey | InChI | 1.03 | RFROQVRGDKTHLN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO |
SMILES | CACTVS | 3.385 | COc1ccc(cc1NC(=O)c2cccc3c2oc4ccccc34)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1NC(=O)c2cccc3c2oc4c3cccc4)C(=O)NO |