BNPS-skatole

Properties Image MNX_ID MNXM152871 reference chebi:85968 formula C15H11BrN2O2S global charge 0 mol weight 363.236 InChIKey BXTVQNYQYUTQAZ-UHFFFAOYSA-N InChI InChI=1S/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3 SMILES CC1(Br)C(SC2=CC=CC=C2[N+](=O)[O-])=NC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3/t15? SMILES (mnx) [CH3:1][C:15]1([Br:16])[C:10]2=[CH:6][CH:2]=[CH:3][CH:7]=[C:11]2[N:17]=[C:14]1[S:21][C:13]1=[CH:9][CH:5]=[CH:4][CH:8]=[C:12]1[N+:18]([O-:19])=[O:20]

Parent-child relations graph

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