Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2C(=O)n3c4ccc(O)cc4cc3c2cc1OC |
SMILES | CACTVS | 3.370 | COc1cc2C(=O)n3c4ccc(O)cc4cc3c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O |
InChI | InChI | 1.03 | InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3 |
InChIKey | InChI | 1.03 | IRPIYZBBHNVOHO-UHFFFAOYSA-N |