Nitrothal-isopropyl

Properties Image MNX_ID MNXM64797 reference chebi:82026 formula C14H17NO6 global charge 0 mol weight 295.291 InChIKey VJAWBEFMCIINFU-UHFFFAOYSA-N InChI InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3 SMILES CC(C)OC(=O)C1=CC(C(=O)OC(C)C)=CC([N+](=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3 SMILES (mnx) [CH3:1][CH:8]([CH3:2])[O:20][C:13]([C:10]1=[CH:5][C:11]([C:14](=[O:17])[O:21][CH:9]([CH3:3])[CH3:4])=[CH:7][C:12]([N+:15]([O-:18])=[O:19])=[CH:6]1)=[O:16]

Parent-child relations graph

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