433939-27-6 Purity
98%
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Specification
The molecular formula is C18H14BrNO3.
The molecular weight is 372.2 g/mol.
It was created on July 14, 2005.
The IUPAC name is 6-bromo-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid.
The InChI is: InChI=1S/C18H14BrNO3/c1-2-23-17-6-4-3-5-12(17)16-10-14(18(21)22)13-9-11(19)7-8-15(13)20-16/h3-10H,2H2,1H3,(H,21,22).
The InChIKey is FCTLWADVTIXXBV-UHFFFAOYSA-N.
The canonical SMILES is CCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The CAS identifier is 438531-52-3.
Yes, it is a canonicalized compound.