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The molecular formula is C18H14BrNO3.
The molecular weight is 372.2 g/mol.
The IUPAC name is 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid.
The InChI is InChI=1S/C18H14BrNO3/c1-2-23-13-5-3-4-11(8-13)17-10-15(18(21)22)14-9-12(19)6-7-16(14)20-17/h3-10H,2H2,1H3,(H,21,22).
The InChIKey is VNGWIIJCZIVDNZ-UHFFFAOYSA-N.
The canonical SMILES is CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The CAS number is 350999-95-0.
The DSSTox Substance ID is DTXSID50359757.
The XLogP3-AA value is 4.4.
Yes, it is a canonicalized compound.
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