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1TD

Summary
Name:3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid
Formula:C16 H11 N O3
Formal charge:0
Formula weight:265.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]benzoic acid
OpenEye OEToolkits1.9.23-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc(c1)\C=C3/c2ccccc2NC3=O
InChIInChI1.03InChI=1S/C16H11NO3/c18-15-13(12-6-1-2-7-14(12)17-15)9-10-4-3-5-11(8-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
InChIKeyInChI1.03MJKGNDUTAHLMMQ-UKTHLTGXSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(c1)\C=C/2C(=O)Nc3ccccc/23
SMILESCACTVS3.385OC(=O)c1cccc(c1)C=C2C(=O)Nc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)/C(=C\c3cccc(c3)C(=O)O)/C(=O)N2
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=Cc3cccc(c3)C(=O)O)C(=O)N2

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數據於2024-07-24公開中

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