Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC |
InChI | InChI | 1.03 | InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | DGGKRIGJIQRXQD-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO |
SMILES | CACTVS | 3.370 | CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO |