Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17) |
InChIKey | InChI | 1.03 | LQQYZJRCWBRIMW-UHFFFAOYSA-N |