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The molecular formula is C18H13N3O6.
The molecular weight is 367.3 g/mol.
The IUPAC name is 3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]naphthalene-2-carboxylic acid.
The InChI is InChI=1S/C18H13N3O6/c1-27-15-9-11(21(25)26)6-7-14(15)19-20-16-12-5-3-2-4-10(12)8-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24).
The InChIKey is BPKGQYUDMVTNRG-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O).
The CAS number is 70714-70-4.
The European Community (EC) number is 274-801-0.
The XLogP3-AA value is 4.5.
Yes, the compound is canonicalized.
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