351155-45-8 Purity
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Specification
The molecular formula is C19H16BrNO5.
The molecular weight is 418.2 g/mol.
The IUPAC name is 6-bromo-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid.
The InChI of the compound is InChI=1S/C19H16BrNO5/c1-24-16-6-10(7-17(25-2) 18(16)26-3)15-9-13(19(22)23)12-8-11(20) 4-5-14(12)21-15/h4-9H,1-3H3,(H,22,23).
The InChIKey is LDZWGFSPNFMECV-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The CAS number is 351329-63-0.
The European Community (EC) number is 673-192-2.
The monoisotopic mass is 417.02119 g/mol.
Yes, the compound is canonicalized.