4-Nitrobenzoylformate

Properties Image MNX_ID MNXM166448 reference sabiorkM:20806 formula C8H4NO5 global charge -1 mol weight 194.122 InChIKey RREPYIWLDJQENS-UHFFFAOYSA-M InChI InChI=1S/C8H5NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4H,(H,11,12)/p-1 SMILES O=C([O-])C(=O)C1=CC=C([N+](=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C8H5NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4H,(H,11,12) SMILES (mnx) [CH:1]1=[CH:3][C:6]([N+:9]([O-:13])=[O:14])=[CH:4][CH:2]=[C:5]1[C:7]([C:8](=[O:11])[OH:12])=[O:10]

Parent-child relations graph

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