[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H14BrNO4 MolecularWeight: 400.22276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C19H14BrNO4/c1-24-18-9-7-13(10-14(18)20)17(22)11-25-19(23)16-8-6-12-4-2-3-5-15(12)21-16/h2-10H,11H2,1H3