compound 0287334

Properties Image MNX_ID MNXM1138350 reference envipathM:...054b93bcbeb7 formula C18H15Cl3N2O3 global charge 0 mol weight 413.688 InChIKey HTDPNUHEEJBGFV-UHFFFAOYSA-N InChI InChI=1S/C18H15Cl3N2O3/c19-12-3-1-11(2-4-12)16(8-23-6-5-22-10-23)26-9-13-14(20)7-15(21)18(25)17(13)24/h1-7,10,16,24-25H,8-9H2 SMILES OC1=C(O)C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2)=C(Cl)C=C1Cl MNX internals InChI (mnx) InChI=1/C18H15Cl3N2O3/c19-12-3-1-11(2-4-12)16(8-23-6-5-22-10-23)26-9-13-14(20)7-15(21)18(25)17(13)24/h1-7,10,16,24-25H,8-9H2/t16? SMILES (mnx) [CH:1]1=[CH:3][C:12]([Cl:19])=[CH:4][CH:2]=[C:11]1[CH:16]([CH2:8][N:23]1[CH:6]=[CH:5][N:22]=[CH:10]1)[O:26][CH2:9][C:13]1=[C:17]([OH:24])[C:18]([OH:25])=[C:15]([Cl:21])[CH:7]=[C:14]1[Cl:20]

Parent-child relations graph

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