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CLC

Summary
Name:N-ACETYL-P-NITROPHENYLSERINOL
Formula:C11 H14 N2 O5
Formal charge:0
Formula weight:254.239 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
OpenEye OEToolkits1.5.0N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1ccc(cc1)C(O)C(NC(=O)C)CO
SMILES_CANONICALCACTVS3.341CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O
SMILESCACTVS3.341CC(=O)N[CH](CO)[CH](O)c1ccc(cc1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)N[C@H](CO)[C@@H](c1ccc(cc1)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.5.0CC(=O)NC(CO)C(c1ccc(cc1)[N+](=O)[O-])O
InChIInChI1.03InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1
InChIKeyInChI1.03PIVQDUYOEIAFDM-GHMZBOCLSA-N

222415

數據於2024-07-10公開中

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