Thalidomide arene oxide

Properties Image MNX_ID MNXM161545 reference hmdb:HMDB0013872 formula C13H10N2O5 global charge 0 mol weight 274.232 InChIKey MNALUCRLHVMELD-UHFFFAOYSA-N InChI InChI=1S/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17) SMILES O=C1CCC(N2C(=O)C3=CC4OC4C=C3C2=O)C(=O)N1 MNX internals InChI (mnx) InChI=1/C13H10N2O5/c16-10-2-1-7(11(17)14-10)15-12(18)5-3-8-9(20-8)4-6(5)13(15)19/h3-4,7-9H,1-2H2,(H,14,16,17)/t7?,8?,9? SMILES (mnx) [CH2:1]1[CH2:2][C:10]([OH:16])=[N:14][C:11](=[O:17])[CH:7]1[N:15]1[C:12](=[O:18])[C:5]2=[CH:3][CH:8]3[CH:9]([CH:4]=[C:6]2[C:13]1=[O:19])[O:20]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0