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6R6

Summary
Name:5-nitroanthranilic acid
Synonyms:2-azanyl-5-nitro-benzoic acid
Formula:C7 H6 N2 O4
Formal charge:0
Formula weight:182.134 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.52-azanyl-5-nitro-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKeyInChI1.03RUCHWTKMOWXHLU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(cc1C(O)=O)[N+]([O-])=O
SMILESCACTVS3.385Nc1ccc(cc1C(O)=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)N
SMILESOpenEye OEToolkits2.0.5c1cc(c(cc1[N+](=O)[O-])C(=O)O)N

219140

PDB entries from 2024-05-01

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