種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) |
InChIKey | InChI | 1.03 | RAPJIPXYCVHSNT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O |