| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OC)Nc1cc2c(cc1)nc(I)c2CCNC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Nc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 |
| SMILES | CACTVS | 3.370 | COC(=O)Nc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20) |
| InChIKey | InChI | 1.03 | BMRSKORHUNWKLU-UHFFFAOYSA-N |
