compound 0227934

Properties Image MNX_ID MNXM1177797 reference envipathM:...198423066683 formula C9H11N2O4 global charge -1 mol weight 211.197 InChIKey TYQOFNGQTSTAQT-UHFFFAOYSA-M InChI InChI=1S/C9H12N2O4/c1-5(12)11-4-8(13)6-2-10-3-7(6)9(14)15/h2-3,8,10,13H,4H2,1H3,(H,11,12)(H,14,15)/p-1 SMILES CC(=O)NCC(O)C1=CNC=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H12N2O4/c1-5(12)11-4-8(13)6-2-10-3-7(6)9(14)15/h2-3,8,10,13H,4H2,1H3,(H,11,12)(H,14,15)/t8? SMILES (mnx) [CH3:1][C:5](=[N:11][CH2:4][CH:8]([C:6]1=[CH:2][NH:10][CH:3]=[C:7]1[C:9](=[O:14])[OH:15])[OH:13])[OH:12]

Parent-child relations graph

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