compound 0050597

Properties Image MNX_ID MNXM1196484 reference envipathM:...59ded0327426 formula C18H19N3O4 global charge 0 mol weight 341.367 InChIKey QIZIYZYSCWVHFO-UHFFFAOYSA-N InChI InChI=1S/C18H19N3O4/c1-11(2)18(24)25-10-17(23)12-7-8-16(22)15(9-12)21-19-13-5-3-4-6-14(13)20-21/h3-9,11,17,22-23H,10H2,1-2H3 SMILES CC(C)C(=O)OCC(O)C1=CC=C(O)C(N2N=C3C=CC=CC3=N2)=C1 MNX internals InChI (mnx) InChI=1/C18H19N3O4/c1-11(2)18(24)25-10-17(23)12-7-8-16(22)15(9-12)21-19-13-5-3-4-6-14(13)20-21/h3-9,11,17,22-23H,10H2,1-2H3/t17? SMILES (mnx) [CH3:1][CH:11]([CH3:2])[C:18](=[O:24])[O:25][CH2:10][CH:17]([C:12]1=[CH:9][C:15]([N:21]2[N:19]=[C:13]3[CH:5]=[CH:3][CH:4]=[CH:6][C:14]3=[N:20]2)=[C:16]([OH:22])[CH:8]=[CH:7]1)[OH:23]

Parent-child relations graph

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