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S-1360

PropertiesImage
MNX_IDMNXM169047 Image of MNXM169047
referencesabiorkM:20733
formulaC16H12FN3O3
global charge0
mol weight313.288
InChIKeyHFHDGHOGHWXXDT-ZSOIEALJSA-N
InChIInChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-
SMILESO=C(/C=C(\O)C1=NNC=N1)C1=CC=C(CC2=CC=C(F)C=C2)O1
MNX internals
InChI (mnx)InChI=1/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8- Image of MNXM169047
SMILES (mnx)[CH:1]1=[CH:3][C:11]([F:17])=[CH:4][CH:2]=[C:10]1[CH2:7][C:12]1=[CH:5][CH:6]=[C:15]([C:13](/[CH:8]=[C:14](/[C:16]2=[N:20][NH:19][CH:9]=[N:18]2)[OH:22])=[O:21])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:20733
sabiorkM:20733
HFHDGHOGHWXXDT-ZSOIEALJSA-N 		S-1360