Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H12N6O3/c14-6-11-16-10(13(22)19(11)7-12(20)21)5-8-1-3-9(4-2-8)17-18-15/h1-5H,6-7,14H2,(H,20,21)/b10-5- |
InChIKey | InChI | 1.03 | LLZZHPRLBAOKOQ-YHYXMXQVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCC1=N\C(=C/c2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O |
SMILES | CACTVS | 3.385 | NCC1=NC(=Cc2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)N=[N+]=[N-] |