Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 |
InChIKey | InChI | 1.03 | HYIMSNHJOBLJNT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N](=O)=O)C(=O)OC)C |
SMILES | CACTVS | 3.385 | COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N](=O)=O)C(=O)OC)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC |