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IAA

Summary
Name:({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID
Synonyms:2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE
Formula:C18 H13 N3 O4
Formal charge:0
Formula weight:335.314 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04({[(2Z,3E)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid
OpenEye OEToolkits1.5.02-[[(2Z)-2-(2-oxo-7H-indol-3-ylidene)-7H-indol-3-ylidene]amino]oxyethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CO\N=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O
SMILES_CANONICALCACTVS3.341OC(=O)CO\N=C\1C2=CC=CCC2=NC\1=C3\C(=O)N=C4CC=CC=C34
SMILESCACTVS3.341OC(=O)CON=C1C2=CC=CCC2=NC1=C3C(=O)N=C4CC=CC=C34
SMILES_CANONICALOpenEye OEToolkits1.5.0C1C=CC=C\2C1=N/C(=C\3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O
SMILESOpenEye OEToolkits1.5.0C1C=CC=C2C1=NC(=C3C4=CC=CCC4=NC3=O)C2=NOCC(=O)O
InChIInChI1.03InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+
InChIKeyInChI1.03BFQRPTKOSYMPOL-LALPNIDTSA-N

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PDB entries from 2024-10-16

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