chloramphenicol 3-acetate

Properties Image MNX_ID MNXM4520 reference chebi:16730 formula C13H14Cl2N2O6 global charge 0 mol weight 365.169 InChIKey VVOIFRARHIZCJD-GHMZBOCLSA-N InChI InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1 SMILES CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1 SMILES (mnx) [CH3:1][C:7](=[O:18])[O:23][CH2:6][C@H:10]([C@@H:11]([C:8]1=[CH:3][CH:5]=[C:9]([N+:17]([O-:21])=[O:22])[CH:4]=[CH:2]1)[OH:19])[N:16]=[C:13]([CH:12]([Cl:14])[Cl:15])[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 2