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QNM

Summary
Name:2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid
Formula:C13 H12 N2 O5
Formal charge:0
Formula weight:276.245 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2-hydroxy-1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]glycine
OpenEye OEToolkits1.7.62-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CNC(=O)C=2C(=O)c1c(cccc1)N(C=2O)C
InChIInChI1.03InChI=1S/C13H12N2O5/c1-15-8-5-3-2-4-7(8)11(18)10(13(15)20)12(19)14-6-9(16)17/h2-5,20H,6H2,1H3,(H,14,19)(H,16,17)
InChIKeyInChI1.03CRTHWBYRFGFTNO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O
SMILESCACTVS3.370CN1C(=C(C(=O)NCC(O)=O)C(=O)c2ccccc12)O
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O
SMILESOpenEye OEToolkits1.7.6CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O

222415

數據於2024-07-10公開中

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