種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N)c1cc[n+](cc1)COC[n+]2ccc(cc2\C=N\O)\C=N\O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2\C=N\O)cc1 |
SMILES | CACTVS | 3.341 | NC(=O)c1cc[n+](COC[n+]2ccc(C=NO)cc2C=NO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2\C=N\O)\C=N\O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2C=NO)C=NO |
InChI | InChI | 1.03 | InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2 |
InChIKey | InChI | 1.03 | SODKCPHRJDOHMI-UHFFFAOYSA-P |