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X2L

Summary
Name:(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
Formula:C16 H14 N2 O2
Formal charge:0
Formula weight:266.295 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3Z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits1.6.1(3Z)-5-amino-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(\c1cc(ccc1N2)N)=C/c3ccc(OC)cc3
SMILES_CANONICALCACTVS3.352COc1ccc(cc1)\C=C\2C(=O)Nc3ccc(N)cc\23
SMILESCACTVS3.352COc1ccc(cc1)C=C2C(=O)Nc3ccc(N)cc23
SMILES_CANONICALOpenEye OEToolkits1.6.1COc1ccc(cc1)\C=C/2\c3cc(ccc3NC2=O)N
SMILESOpenEye OEToolkits1.6.1COc1ccc(cc1)C=C2c3cc(ccc3NC2=O)N
InChIInChI1.03InChI=1S/C16H14N2O2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,17H2,1H3,(H,18,19)/b14-8-
InChIKeyInChI1.03DYCBCUFDDRQCID-ZSOIEALJSA-N

227111

数据于2024-11-06公开中

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