| Properties | Image |
MNX_ID | MNXM59263 |
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reference | chebi:61899 |
formula | C11H9BrN2O2*2 |
global charge | 0 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]N[C@@H](CC1=CNC2=C1C=CC(Br)=C2)C(=O)O[*] |
MNX internals
InChI (mnx) | InChI=1/C13H15BrN2O2/c1-15-12(13(17)18-2)5-8-7-16-11-6-9(14)3-4-10(8)11/h3-4,6-7,12,15-16H,5H2,1-2H3/t12-/m0/s1/i1+1,2+1 |
 |
SMILES (mnx) | [13CH3:1][NH:15][C@@H:12]([CH2:5][C:8]1=[CH:7][NH:16][C:11]2=[C:10]1[CH:4]=[CH:3][C:9]([Br:14])=[CH:6]2)[C:13](=[O:17])[O:18][13CH3:2] |
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