compound 0054436

Properties Image MNX_ID MNXM1190054 reference envipathM:...f130da60b2a3 formula C14H15Cl2NO3 global charge 0 mol weight 316.184 InChIKey ABTMINGUPNWTJW-UHFFFAOYSA-N InChI InChI=1S/C14H15Cl2NO3/c1-14(6-2-3-8(18)7-14)13(20)17-9-4-5-10(19)12(16)11(9)15/h4-5,19H,2-3,6-7H2,1H3,(H,17,20) SMILES CC1(C(=O)NC2=CC=C(O)C(Cl)=C2Cl)CCCC(=O)C1 MNX internals InChI (mnx) InChI=1/C14H15Cl2NO3/c1-14(6-2-3-8(18)7-14)13(20)17-9-4-5-10(19)12(16)11(9)15/h4-5,19H,2-3,6-7H2,1H3,(H,17,20)/t14? SMILES (mnx) [CH3:1][C:14]1([C:13](=[N:17][C:9]2=[C:11]([Cl:15])[C:12]([Cl:16])=[C:10]([OH:19])[CH:5]=[CH:4]2)[OH:20])[CH2:6][CH2:2][CH2:3][C:8](=[O:18])[CH2:7]1

Parent-child relations graph

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