compound 0284833

Properties Image MNX_ID MNXM1178848 reference envipathM:...a19632eeb17b formula C17H12BrN5O4 global charge 0 mol weight 430.218 InChIKey LWSSBMZZVIVYSG-FXBPSFAMSA-N InChI InChI=1S/C17H12BrN5O4/c18-13-6-11-17(27-12-2-1-3-20-16(12)23(11)22-13)21-14-8(7-24)4-9(25)5-10(14)15(19)26/h1-6,24-25H,7H2,(H2,19,26)/b21-17- SMILES NC(=O)C1=CC(O)=CC(CO)=C1/N=C1\OC2=CC=CN=C2N2N=C(Br)C=C12 MNX internals InChI (mnx) InChI=1/C17H12BrN5O4/c18-13-6-11-17(27-12-2-1-3-20-16(12)23(11)22-13)21-14-8(7-24)4-9(25)5-10(14)15(19)26/h1-6,24-25H,7H2,(H2,19,26)/b21-17- SMILES (mnx) [CH:1]1=[CH:2][C:12]2=[C:16]([N:20]=[CH:3]1)[N:23]1[C:11](=[CH:6][C:13]([Br:18])=[N:22]1)/[C:17](=[N:21]/[C:14]1=[C:10]([C:15](=[NH:19])[OH:26])[CH:5]=[C:9]([OH:25])[CH:4]=[C:8]1[CH2:7][OH:24])[O:27]2

Parent-child relations graph

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