Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H |
InChIKey | InChI | 1.03 | CKSVYVHLZNMXLX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | [O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
SMILES | CACTVS | 3.370 | [O-][N+](=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-] |