Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc(c1)c4cc(cc(c3cc2nc(ccc2n3)N)c4O)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc2[nH]c(cc2n1)c3cc(CC(O)=O)cc(c3O)c4cccc(c4)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | Nc1ccc2[nH]c(cc2n1)c3cc(CC(O)=O)cc(c3O)c4cccc(c4)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c3cc4c([nH]3)ccc(n4)N)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C21H16N4O5/c22-19-5-4-16-18(24-19)10-17(23-16)15-7-11(8-20(26)27)6-14(21(15)28)12-2-1-3-13(9-12)25(29)30/h1-7,9-10,23,28H,8H2,(H2,22,24)(H,26,27) |
InChIKey | InChI | 1.03 | BVBGZXXLVHYBKI-UHFFFAOYSA-N |