4-Guanidino-3-nitrobenzoic acid

Properties Image MNX_ID MNXM166370 reference sabiorkM:23384 formula C8H8N4O4 global charge 0 mol weight 224.176 InChIKey YYZTWYMIGGLHFY-UHFFFAOYSA-N InChI InChI=1S/C8H8N4O4/c9-8(10)11-5-2-1-4(7(13)14)3-6(5)12(15)16/h1-3H,(H,13,14)(H4,9,10,11) SMILES N=C(N)NC1=C([N+](=O)[O-])C=C(C(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C8H8N4O4/c9-8(10)11-5-2-1-4(7(13)14)3-6(5)12(15)16/h1-3H,(H,13,14)(H4,9,10,11) SMILES (mnx) [CH:1]1=[CH:2][C:5]([NH:11][C:8](=[NH:9])[NH2:10])=[C:6]([N+:12]([O-:15])=[O:16])[CH:3]=[C:4]1[C:7](=[O:13])[OH:14]

Parent-child relations graph

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