compound 0229872

Properties Image MNX_ID MNXM1191680 reference envipathM:...a67ecf516538 formula C16H16N2O3 global charge 0 mol weight 284.315 InChIKey HSHOUAGQPJYCDK-UHFFFAOYSA-N InChI InChI=1S/C16H16N2O3/c1-9(19)12-5-4-11-3-2-10-6-7-17-14-13(10)16(11,21)15(12,20)8-18-14/h4-8,10,13,20-21H,2-3H2,1H3 SMILES CC(=O)C1=CC=C2CCC3C=CN=C4N=CC1(O)C2(O)C43 MNX internals InChI (mnx) InChI=1/C16H16N2O3/c1-9(19)12-5-4-11-3-2-10-6-7-17-14-13(10)16(11,21)15(12,20)8-18-14/h4-8,10,13,20-21H,2-3H2,1H3/t10?,13?,15?,16? SMILES (mnx) [CH3:1][C:9]([C:12]1=[CH:5][CH:4]=[C:11]2[CH2:3][CH2:2][CH:10]3[CH:6]=[CH:7][N:17]=[C:14]4[CH:13]3[C:16]2([OH:21])[C:15]1([OH:20])[CH:8]=[N:18]4)=[O:19]

Parent-child relations graph

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