種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4 |
SMILES | CACTVS | 3.341 | OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24) |
InChIKey | InChI | 1.03 | OLUDUXWVPIEHDA-UHFFFAOYSA-N |