1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester

Properties Image MNX_ID MNXM343343 reference chebi:109715 formula C20H20N2O4 global charge 0 mol weight 352.39 InChIKey ABQRHGHOVQWKHE-UHFFFAOYSA-N InChI InChI=1S/C20H20N2O4/c1-3-26-19(24)17-13-20(25,16-11-9-14(2)10-12-16)22(21-17)18(23)15-7-5-4-6-8-15/h4-12,25H,3,13H2,1-2H3 SMILES CCOC(=O)C1=NN(C(=O)C2=CC=CC=C2)C(O)(C2=CC=C(C)C=C2)C1 MNX internals InChI (mnx) InChI=1/C20H20N2O4/c1-3-26-19(24)17-13-20(25,16-11-9-14(2)10-12-16)22(21-17)18(23)15-7-5-4-6-8-15/h4-12,25H,3,13H2,1-2H3/t20? SMILES (mnx) [CH3:1][CH2:3][O:26][C:19]([C:17]1=[N:21][N:22]([C:18]([C:15]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)=[O:23])[C:20]([C:16]2=[CH:12][CH:10]=[C:14]([CH3:2])[CH:9]=[CH:11]2)([OH:25])[CH2:13]1)=[O:24]

Parent-child relations graph

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