compound 0051456

Properties Image MNX_ID MNXM1189021 reference envipathM:...1901d3271e25 formula C18H12Cl2N2O4 global charge 0 mol weight 391.21 InChIKey YVATZLUFCCPAIT-UHFFFAOYSA-N InChI InChI=1S/C18H12Cl2N2O4/c19-11-8-13(23)14(16(25)15(11)24)9-4-1-2-6-12(9)22-18(26)10-5-3-7-21-17(10)20/h1-8,23-25H,(H,22,26) SMILES O=C(NC1=CC=CC=C1C1=C(O)C=C(Cl)C(O)=C1O)C1=CC=CN=C1Cl MNX internals InChI (mnx) InChI=1/C18H12Cl2N2O4/c19-11-8-13(23)14(16(25)15(11)24)9-4-1-2-6-12(9)22-18(26)10-5-3-7-21-17(10)20/h1-8,23-25H,(H,22,26) SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:12]([N:22]=[C:18]([C:10]2=[C:17]([Cl:20])[N:21]=[CH:7][CH:3]=[CH:5]2)[OH:26])[C:9]([C:14]2=[C:13]([OH:23])[CH:8]=[C:11]([Cl:19])[C:15]([OH:24])=[C:16]2[OH:25])=[CH:4]1

Parent-child relations graph

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