1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester

Properties Image MNX_ID MNXM179156 reference chebi:115462 formula C25H19N3O5 global charge 0 mol weight 441.443 InChIKey PIMNHOYSPVIZMY-UHFFFAOYSA-N InChI InChI=1S/C25H19N3O5/c1-17-12-13-19(14-22(17)28(31)32)23(29)16-33-25(30)21-15-27(20-10-6-3-7-11-20)26-24(21)18-8-4-2-5-9-18/h2-15H,16H2,1H3 SMILES CC1=C([N+](=O)[O-])C=C(C(=O)COC(=O)C2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)C=C1 MNX internals InChI (mnx) InChI=1/C25H19N3O5/c1-17-12-13-19(14-22(17)28(31)32)23(29)16-33-25(30)21-15-27(20-10-6-3-7-11-20)26-24(21)18-8-4-2-5-9-18/h2-15H,16H2,1H3 SMILES (mnx) [CH3:1][C:17]1=[C:22]([N+:28]([O-:31])=[O:32])[CH:14]=[C:19]([C:23]([CH2:16][O:33][C:25]([C:21]2=[CH:15][N:27]([C:20]3=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]3)[N:26]=[C:24]2[C:18]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)=[O:30])=[O:29])[CH:13]=[CH:12]1

Parent-child relations graph

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