Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O |
InChI | InChI | 1.03 | InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5- |
InChIKey | InChI | 1.03 | APXXDBVLXHIFHL-UITAMQMPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C(O)=C\C(=O)c1ccccc1[N+]([O-])=O |
SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)c1ccccc1[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)C=C(C(=O)O)O)[N+](=O)[O-] |