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GXM

Summary
Name:(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
Formula:C10 H7 N O6
Formal charge:0
Formula weight:237.166 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
OpenEye OEToolkits2.0.6(~{Z})-4-(2-nitrophenyl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O
InChIInChI1.03InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5-
InChIKeyInChI1.03APXXDBVLXHIFHL-UITAMQMPSA-N
SMILES_CANONICALCACTVS3.385OC(=O)\C(O)=C\C(=O)c1ccccc1[N+]([O-])=O
SMILESCACTVS3.385OC(=O)C(O)=CC(=O)c1ccccc1[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)C=C(C(=O)O)O)[N+](=O)[O-]

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PDB entries from 2024-07-17

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