compound 0284789

Properties Image MNX_ID MNXM1196935 reference envipathM:...763f2eebd509 formula C18H9BrN5O3 global charge -1 mol weight 423.206 InChIKey YUAWQIONDGVOJQ-XLNRJJMWSA-M InChI InChI=1S/C18H10BrN5O3/c1-9-5-10(8-20)6-11(18(25)26)15(9)22-17-12-7-14(19)23-24(12)16-13(27-17)3-2-4-21-16/h2-7H,1H3,(H,25,26)/p-1/b22-17- SMILES CC1=C(/N=C2\OC3=CC=CN=C3N3N=C(Br)C=C23)C(C(=O)[O-])=CC(C#N)=C1 MNX internals InChI (mnx) InChI=1/C18H10BrN5O3/c1-9-5-10(8-20)6-11(18(25)26)15(9)22-17-12-7-14(19)23-24(12)16-13(27-17)3-2-4-21-16/h2-7H,1H3,(H,25,26)/b22-17- SMILES (mnx) [CH3:1][C:9]1=[CH:5][C:10]([C:8]#[N:20])=[CH:6][C:11]([C:18](=[O:25])[OH:26])=[C:15]1/[N:22]=[C:17]1/[C:12]2=[CH:7][C:14]([Br:19])=[N:23][N:24]2[C:16]2=[C:13]([CH:3]=[CH:2][CH:4]=[N:21]2)[O:27]1

Parent-child relations graph

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