chempirical

2-[(4-Nitrophenyl)amino]-2-oxoacetic acid

C8H6N2O5CAS 103-94-6210.14 g/mol

Open in Covalent MOL file
OHOOHNN+OO−
AlcoholCarboxylic AcidNitroTertiary Amine

Properties

Molecular formula
C8H6N2O5
Molar mass
210.14 g/mol
Exact mass
210.0277 Da
Melting point
210 °C (decomposes)
logP
1.27Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
103-94-6
SMILES
O=C(O)C(O)=Nc1ccc([N+](=O)[O-])cc1
InChIKey
ZEJKSYPGUAUQKW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)

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Names and synonyms

7 names
  • Acetic acid, 2-[(4-nitrophenyl)amino]-2-oxo-
  • Oxanilic acid, 4′-nitro-
  • Acetic acid, [(4-nitrophenyl)amino]oxo-
  • N-(4-Nitrophenyl)oxamic acid
  • 4′-Nitrooxanilic acid
  • NSC 57783
  • [(4-Nitrophenyl)amino]oxoacetic acid

Work with 2-[(4-Nitrophenyl)amino]-2-oxoacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1-(3,5-Dinitrophenyl)ethanone14401-75-3

Elsewhere

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