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EO8

Summary
Name:4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
Formula:C15 H9 N O7
Formal charge:0
Formula weight:315.234 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)
InChIKeyInChI1.03WDYTXQOHLZPDFS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O
SMILESCACTVS3.385OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O

220472

PDB entries from 2024-05-29

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