Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

43A

Summary
Name:(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
Formula:C20 H16 N2 O3
Formal charge:0
Formula weight:332.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits1.5.06-(4-hydroxy-3-methoxy-phenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(\c1ccc(cc1N2)c3ccc(O)c(OC)c3)=C/c4cccn4
SMILES_CANONICALCACTVS3.341COc1cc(ccc1O)c2ccc\3c(NC(=O)C\3=C\c4[nH]ccc4)c2
SMILESCACTVS3.341COc1cc(ccc1O)c2ccc3c(NC(=O)C3=Cc4[nH]ccc4)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4
SMILESOpenEye OEToolkits1.5.0COc1cc(ccc1O)c2ccc3c(c2)NC(=O)C3=Cc4ccc[nH]4
InChIInChI1.03InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
InChIKeyInChI1.03AYSXURJZVXBSRV-WJDWOHSUSA-N

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon