4-nitrophenyl hexanoate

Properties Image MNX_ID MNXM66233 reference metacycM:CPD-13117 formula C12H15NO4 global charge 0 mol weight 237.255 InChIKey OLRXUEYZKCCEKK-UHFFFAOYSA-N InChI InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3 SMILES CCCCCC(=O)OC1=CC=C([N+](=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:12](=[O:14])[O:17][C:11]1=[CH:9][CH:7]=[C:10]([N+:13]([O-:15])=[O:16])[CH:6]=[CH:8]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0