Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C2OC(C(\N=[N+]=[N@H])C2F)CO |
InChI | InChI | 1.03 | InChI=1S/C9H10FN5O4/c10-6-7(13-14-11)4(3-16)19-8(6)15-2-1-5(17)12-9(15)18/h1-2,4,6-8,11,16H,3H2/p+1/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | YRIDFNZYEULFDH-XVFCMESISA-O |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H]([C@H](F)[C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O |
SMILES | CACTVS | 3.370 | OC[CH]1O[CH]([CH](F)[CH]1N=[N+]=N)N2C=CC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)N=[N+]=N)F |