compound 0237725

Properties Image MNX_ID MNXM1170635 reference envipathM:...82301e77bcce formula C16H14ClN2O7 global charge -1 mol weight 381.748 InChIKey VTMPEEZPHFKAIU-UHFFFAOYSA-M InChI InChI=1S/C16H15ClN2O7/c1-19-10-3-2-7(17)4-9(10)13(18-14(23)15(19)24)12(16(25)26)11(22)5-8(21)6-20/h2-5,12,14,20,22-23H,6H2,1H3,(H,25,26)/p-1 SMILES CN1C(=O)C(O)N=C(C(C(=O)[O-])C(O)=CC(=O)CO)C2=C1C=CC(Cl)=C2 MNX internals InChI (mnx) InChI=1/C16H15ClN2O7/c1-19-10-3-2-7(17)4-9(10)13(18-14(23)15(19)24)12(16(25)26)11(22)5-8(21)6-20/h2-5,12,14,20,22-23H,6H2,1H3,(H,25,26)/b11-5?/t12?,14? SMILES (mnx) [CH3:1][N:19]1[C:10]2=[C:9]([CH:4]=[C:7]([Cl:17])[CH:2]=[CH:3]2)[C:13]([CH:12]([C:11](=[CH:5][C:8]([CH2:6][OH:20])=[O:21])[OH:22])[C:16](=[O:25])[OH:26])=[N:18][CH:14]([OH:23])[C:15]1=[O:24]

Parent-child relations graph

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