Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c3ccc(OCc2c1c(C(=O)C=C(OC)C1=O)n(c2C)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | COC1=CC(=O)c2n(C)c(C)c(COc3ccc(cc3)[N+]([O-])=O)c2C1=O |
SMILES | CACTVS | 3.341 | COC1=CC(=O)c2n(C)c(C)c(COc3ccc(cc3)[N+]([O-])=O)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3 |
InChIKey | InChI | 1.03 | IBLWSLZYYZHSRG-UHFFFAOYSA-N |