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3ZU

Summary
Name:(2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one
Formula:C15 H12 N2 O3
Formal charge:0
Formula weight:268.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-aminophenyl)-5-methoxy-3H-indol-3-one 1-oxide
OpenEye OEToolkits1.7.62-(4-aminophenyl)-5-methoxy-1-oxidanidyl-indol-1-ium-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+]=2c1ccc(OC)cc1C(=O)C=2c3ccc(N)cc3
InChIInChI1.03InChI=1S/C15H12N2O3/c1-20-11-6-7-13-12(8-11)15(18)14(17(13)19)9-2-4-10(16)5-3-9/h2-8H,16H2,1H3
InChIKeyInChI1.03HTBDGBPUYWVYCA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(N)cc3
SMILESCACTVS3.385COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(N)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N
SMILESOpenEye OEToolkits1.7.6COc1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccc(cc3)N

218853

PDB entries from 2024-04-24

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