5-(Acetylamino)-2-nitrobenzoic Acid

5-(Acetylamino)-2-nitrobenzoic Acid bmse000174 - Data bmst000214 - Theory

5_acetylamino_2_nitrobenzoic_acid synonyms

5-Acetamido-2-nitrobenzoic acid; Benzoic acid, 5-(acetylamino)-2-nitro-; 5-Acetylamino-2-nitrobenzoic acid

Wikipedia:

Graphical representations:

5_acetylamino_2_nitrobenzoic_acid

View large 3D structure

Molecular Formula: C9H8N2O5

Natural Isotopic Abundance Mass: 224.1702200000

Mono-Isotopic Molecular Masses:

  • C12N14: 224.043321378
  • C13N14: 233.073514918
  • C12N15: 226.037391164
  • C13N15: 235.0675847043

InChI string: InChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)

IUPAC: 5-acetamido-2-nitro-benzoic acid

PubChem Compound (CID): 78076
CAS Registry number: 4368-83-6
EINECS: 224-461-4

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)