種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14 |
SMILES | CACTVS | 3.341 | OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21) |
InChIKey | InChI | 1.03 | INSBKYCYLCEBOD-UHFFFAOYSA-N |