compound 0281089

Properties Image MNX_ID MNXM1183524 reference envipathM:...55736c489401 formula C15H12BrF3NO3 global charge -1 mol weight 391.163 InChIKey PEMZKSOSRUEDPS-UHFFFAOYSA-M InChI InChI=1S/C15H13BrF3NO3/c1-2-23-8-20-12(9-6-4-3-5-7-9)10(14(21)22)11(16)13(20)15(17,18)19/h3-7H,2,8H2,1H3,(H,21,22)/p-1 SMILES CCOCN1C(C2=CC=CC=C2)=C(C(=O)[O-])C(Br)=C1C(F)(F)F MNX internals InChI (mnx) InChI=1/C15H13BrF3NO3/c1-2-23-8-20-12(9-6-4-3-5-7-9)10(14(21)22)11(16)13(20)15(17,18)19/h3-7H,2,8H2,1H3,(H,21,22) SMILES (mnx) [CH3:1][CH2:2][O:23][CH2:8][N:20]1[C:12]([C:9]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)=[C:10]([C:14](=[O:21])[OH:22])[C:11]([Br:16])=[C:13]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