3,4-Dehydrochlorambucil

Properties Image MNX_ID MNXM1127778 reference chebi:165233 formula C14H17Cl2NO2 global charge 0 mol weight 302.201 InChIKey PXOQTPQOIMSYSF-OWOJBTEDSA-N InChI InChI=1S/C14H17Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h1-2,4-7H,3,8-11H2,(H,18,19)/b2-1+ SMILES O=C(O)C/C=C/C1=CC=C(N(CCCl)CCCl)C=C1 MNX internals InChI (mnx) InChI=1/C14H17Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h1-2,4-7H,3,8-11H2,(H,18,19)/b2-1+ SMILES (mnx) [CH:1](=[CH:2]/[C:12]1=[CH:5][CH:7]=[C:13]([N:17]([CH2:10][CH2:8][Cl:15])[CH2:11][CH2:9][Cl:16])[CH:6]=[CH:4]1)\[CH2:3][C:14](=[O:18])[OH:19]

Parent-child relations graph

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