3-oxohexobarbital

Properties Image MNX_ID MNXM36760 reference chebi:1643 formula C12H15N2O4 global charge 1 mol weight 251.262 InChIKey QRBUUDMCIOVDKY-UHFFFAOYSA-N InChI InChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1 SMILES CN1C(=O)[N+](=O)C(=O)C(C)(C2=CCCCC2)C1=O MNX internals InChI (mnx) InChI=1/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1/t12? SMILES (mnx) [CH3:1][C:12]1([C:8]2=[CH:6][CH2:4][CH2:3][CH2:5][CH2:7]2)[C:9](=[O:15])[N:13]([CH3:2])[C:11](=[O:17])[N+:14](=[O:18])[C:10]1=[O:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0