compound 0062058

Properties Image MNX_ID MNXM1182837 reference envipathM:...f0beea91245d formula C12H15N3O5 global charge 0 mol weight 281.268 InChIKey ALLTUFVRESYFFC-UHFFFAOYSA-N InChI InChI=1S/C12H15N3O5/c1-6-9(13-16)8(12(3,4)5)11(15(19)20)7(2)10(6)14(17)18/h1-5H3 SMILES CC1=C([N+](=O)[O-])C(C)=C([N+](=O)[O-])C(C(C)(C)C)=C1N=O MNX internals InChI (mnx) InChI=1/C12H15N3O5/c1-6-9(13-16)8(12(3,4)5)11(15(19)20)7(2)10(6)14(17)18/h1-5H3 SMILES (mnx) [CH3:1][C:6]1=[C:9]([N:13]=[O:16])[C:8]([C:12]([CH3:3])([CH3:4])[CH3:5])=[C:11]([N+:15]([O-:19])=[O:20])[C:7]([CH3:2])=[C:10]1[N+:14]([O-:17])=[O:18]

Parent-child relations graph

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