compound 0284867

Properties Image MNX_ID MNXM1183037 reference envipathM:...842b58f441bb formula C18H12N6O4 global charge 0 mol weight 376.332 InChIKey WNYPDIMRBCBIDE-UHFFFAOYSA-N InChI InChI=1S/C18H12N6O4/c1-8-4-9(7-19)5-10-14(8)21-15(22-17(10)27)11-2-3-20-24(11)16-12(25)6-13(26)18(28)23-16/h2-6,25-26H,1H3,(H,23,28)(H,21,22,27) SMILES CC1=CC(C#N)=CC2=C1N=C(C1=CC=NN1C1=C(O)C=C(O)C(O)=N1)NC2=O MNX internals InChI (mnx) InChI=1/C18H12N6O4/c1-8-4-9(7-19)5-10-14(8)21-15(22-17(10)27)11-2-3-20-24(11)16-12(25)6-13(26)18(28)23-16/h2-6,25-26H,1H3,(H,23,28)(H,21,22,27) SMILES (mnx) [CH3:1][C:8]1=[CH:4][C:9]([C:7]#[N:19])=[CH:5][C:10]2=[C:14]1[NH:21][C:15]([C:11]1=[CH:2][CH:3]=[N:20][N:24]1[C:16]1=[N:23][C:18]([OH:28])=[C:13]([OH:26])[CH:6]=[C:12]1[OH:25])=[N:22][C:17]2=[O:27]

Parent-child relations graph

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