| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(ccc2OCOc12)Cc4c3ccccc3nc4 |
| InChI | InChI | 1.03 | InChI=1S/C17H13NO4/c19-17(20)15-10(5-6-14-16(15)22-9-21-14)7-11-8-18-13-4-2-1-3-12(11)13/h1-6,8,18H,7,9H2,(H,19,20) |
| InChIKey | InChI | 1.03 | AKNDWQUYZFSAIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(Cc2c[nH]c3ccccc23)ccc4OCOc14 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(Cc2c[nH]c3ccccc23)ccc4OCOc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4 |
