compound 0072759

Properties Image MNX_ID MNXM1190374 reference envipathM:...01411dc1c99b formula C12H12NO4 global charge -1 mol weight 234.231 InChIKey KPDXEQJNNVSBCE-UHFFFAOYSA-M InChI InChI=1S/C12H13NO4/c1-2-9(11(15)12(16)17)10(14)7-3-5-8(13)6-4-7/h2-6,9-10,14H,1,13H2,(H,16,17)/p-1 SMILES C=CC(C(=O)C(=O)[O-])C(O)C1=CC=C(N)C=C1 MNX internals InChI (mnx) InChI=1/C12H13NO4/c1-2-9(11(15)12(16)17)10(14)7-3-5-8(13)6-4-7/h2-6,9-10,14H,1,13H2,(H,16,17)/t9?,10? SMILES (mnx) [CH2:1]=[CH:2][CH:9]([CH:10]([C:7]1=[CH:4][CH:6]=[C:8]([NH2:13])[CH:5]=[CH:3]1)[OH:14])[C:11]([C:12]([OH:16])=[O:17])=[O:15]

Parent-child relations graph

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