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CHEBI:116871 - 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid

ChEBI IDCHEBI:116871
ChEBI Name3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
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DownloadsMolfile
FormulaC19H9N3O8
Net Charge0
Average Mass407.294
Monoisotopic Mass407.03896
SMILESO=C(O)c1cccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c1
InChIInChI=1S/C19H9N3O8/c23-17-14-7-12(21(27)28)5-10-6-13(22(29)30)8-15(16(10)14)18(24)20(17)11-3-1-2-9(4-11)19(25)26/h1-8H,(H,25,26)
InChIKeyNIPZTHWSGKAQER-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid (CHEBI:116871) is a nitronaphthalene (CHEBI:50631)
Manual XrefsDatabases
LSM-28322LINCS