5-carboxy-lumiracoxib

Properties Image MNX_ID MNXM151368 reference chebi:230683 formula C16H13ClFNO4 global charge 0 mol weight 337.734 InChIKey DAMRUBXLPVLGQF-UHFFFAOYSA-N InChI InChI=1S/C16H13ClFNO4/c1-8-2-5-12(9(6-8)7-13(20)21)19-15-11(17)4-3-10(14(15)18)16(22)23/h2-6,19H,7H2,1H3,(H,20,21)(H,22,23) SMILES CC1=CC(CC(=O)O)=C(NC2=C(F)C(C(=O)O)=CC=C2Cl)C=C1 MNX internals InChI (mnx) InChI=1/C16H13ClFNO4/c1-8-2-5-12(9(6-8)7-13(20)21)19-15-11(17)4-3-10(14(15)18)16(22)23/h2-6,19H,7H2,1H3,(H,20,21)(H,22,23) SMILES (mnx) [CH3:1][C:8]1=[CH:6][C:9]([CH2:7][C:13](=[O:20])[OH:21])=[C:12]([NH:19][C:15]2=[C:11]([Cl:17])[CH:4]=[CH:3][C:10]([C:16](=[O:22])[OH:23])=[C:14]2[F:18])[CH:5]=[CH:2]1

Parent-child relations graph

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