compound 0057424

Properties Image MNX_ID MNXM1178369 reference envipathM:...c2885bc80ffc formula C15H15Br2NO3 global charge 0 mol weight 417.097 InChIKey RMNDLMFSYWKDPU-UHFFFAOYSA-N InChI InChI=1S/C15H15Br2NO3/c16-12-8-11(10-18)9-13(17)15(12)21-14(20)6-4-2-1-3-5-7-19/h7-9H,1-6H2 SMILES N#CC1=CC(Br)=C(OC(=O)CCCCCCC=O)C(Br)=C1 MNX internals InChI (mnx) InChI=1/C15H15Br2NO3/c16-12-8-11(10-18)9-13(17)15(12)21-14(20)6-4-2-1-3-5-7-19/h7-9H,1-6H2 SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][C:14](=[O:20])[O:21][C:15]1=[C:12]([Br:16])[CH:8]=[C:11]([C:10]#[N:18])[CH:9]=[C:13]1[Br:17])[CH2:3][CH2:5][CH:7]=[O:19]

Parent-child relations graph

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