compound 0080827

Properties Image MNX_ID MNXM1195606 reference envipathM:...bf77f35a3bb0 formula C15H17ClNO3 global charge -1 mol weight 294.758 InChIKey YPRWOTBJXUVRLE-GZTJUZNOSA-M InChI InChI=1S/C15H18ClNO3/c1-3-13(15(18)19)10-20-17-11(2)4-5-12-6-8-14(16)9-7-12/h3,6-9,13H,1,4-5,10H2,2H3,(H,18,19)/p-1/b17-11+ SMILES C=CC(CO/N=C(\C)CCC1=CC=C(Cl)C=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H18ClNO3/c1-3-13(15(18)19)10-20-17-11(2)4-5-12-6-8-14(16)9-7-12/h3,6-9,13H,1,4-5,10H2,2H3,(H,18,19)/b17-11+/t13? SMILES (mnx) [CH2:1]=[CH:3][CH:13]([CH2:10][O:20]/[N:17]=[C:11](\[CH3:2])[CH2:4][CH2:5][C:12]1=[CH:7][CH:9]=[C:14]([Cl:16])[CH:8]=[CH:6]1)[C:15](=[O:18])[OH:19]

Parent-child relations graph

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