1-nitropyrene

Properties Image MNX_ID MNXM32893 reference chebi:34107 formula C16H9NO2 global charge 0 mol weight 247.253 InChIKey ALRLPDGCPYIVHP-UHFFFAOYSA-N InChI InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H SMILES O=[N+]([O-])C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34 MNX internals InChI (mnx) InChI=1/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H SMILES (mnx) [CH:1]1=[CH:2][C:10]2=[CH:4][CH:5]=[C:12]3[CH:7]=[CH:9][C:14]([N+:17]([O-:18])=[O:19])=[C:13]4[CH:8]=[CH:6][C:11](=[CH:3]1)[C:15]2=[C:16]34

Parent-child relations graph

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