compound 0071808

Properties Image MNX_ID MNXM1196914 reference envipathM:...d43e15f21135 formula C16H18ClN3O3 global charge 0 mol weight 335.791 InChIKey MCUDZXPVBFQQLX-UHFFFAOYSA-N InChI InChI=1S/C16H18ClN3O3/c1-15(2,9-21)16(23,8-20-11-18-10-19-20)14(22)7-12-3-5-13(17)6-4-12/h3-6,9-11,23H,7-8H2,1-2H3 SMILES CC(C)(C=O)C(O)(CN1C=NC=N1)C(=O)CC1=CC=C(Cl)C=C1 MNX internals InChI (mnx) InChI=1/C16H18ClN3O3/c1-15(2,9-21)16(23,8-20-11-18-10-19-20)14(22)7-12-3-5-13(17)6-4-12/h3-6,9-11,23H,7-8H2,1-2H3/t16? SMILES (mnx) [CH3:1][C:15]([CH3:2])([CH:9]=[O:21])[C:16]([CH2:8][N:20]1[CH:11]=[N:18][CH:10]=[N:19]1)([C:14]([CH2:7][C:12]1=[CH:4][CH:6]=[C:13]([Cl:17])[CH:5]=[CH:3]1)=[O:22])[OH:23]

Parent-child relations graph

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