Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CN1C=C(C(=O)NC1=O)[N+]([O-])=O |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CN1C=C(C(=O)NC1=O)[N+]([O-])=O)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](CN1C=C(C(=O)NC1=O)[N+]([O-])=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.7.2 | C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | IEBVITXSHAFLJR-VKHMYHEASA-N |