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LSM-16571

PropertiesImage
MNX_IDMNXM529001 Image of MNXM529001
referencechebi:105208
formulaC18H15BrN2O4
global charge0
mol weight403.232
InChIKeyXOHFTEIFSNIWHX-UHFFFAOYSA-N
InChIInChI=1S/C18H15BrN2O4/c1-10(22)15-16(11-3-6-13(25-2)7-4-11)21(18(24)17(15)23)14-8-5-12(19)9-20-14/h3-9,15-16H,1-2H3
SMILESCOC1=CC=C(C2C(C(C)=O)C(=O)C(=O)N2C2=NC=C(Br)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C18H15BrN2O4/c1-10(22)15-16(11-3-6-13(25-2)7-4-11)21(18(24)17(15)23)14-8-5-12(19)9-20-14/h3-9,15-16H,1-2H3/t15?,16? Image of MNXM529001
SMILES (mnx)[CH3:1][C:10]([CH:15]1[CH:16]([C:11]2=[CH:4][CH:7]=[C:13]([O:25][CH3:2])[CH:6]=[CH:3]2)[N:21]([C:14]2=[N:20][CH:9]=[C:12]([Br:19])[CH:5]=[CH:8]2)[C:18](=[O:24])[C:17]1=[O:23])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:105208
chebi:105208
XOHFTEIFSNIWHX-UHFFFAOYSA-N 		LSM-16571