compound 0281106

Properties Image MNX_ID MNXM1173815 reference envipathM:...836606b23cae formula C15H12BrF3N2O4 global charge 0 mol weight 421.169 InChIKey KFAIKKKBMJROBQ-UHFFFAOYSA-N InChI InChI=1S/C15H12BrF3N2O4/c1-2-25-6-21-12(8-3-7(22)4-10(23)13(8)24)9(5-20)11(16)14(21)15(17,18)19/h3-4,22-24H,2,6H2,1H3 SMILES CCOCN1C(C2=C(O)C(O)=CC(O)=C2)=C(C#N)C(Br)=C1C(F)(F)F MNX internals InChI (mnx) InChI=1/C15H12BrF3N2O4/c1-2-25-6-21-12(8-3-7(22)4-10(23)13(8)24)9(5-20)11(16)14(21)15(17,18)19/h3-4,22-24H,2,6H2,1H3 SMILES (mnx) [CH3:1][CH2:2][O:25][CH2:6][N:21]1[C:12]([C:8]2=[C:13]([OH:24])[C:10]([OH:23])=[CH:4][C:7]([OH:22])=[CH:3]2)=[C:9]([C:5]#[N:20])[C:11]([Br:16])=[C:14]1[C:15]([F:17])([F:18])[F:19]

Parent-child relations graph

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