cyanomethyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: cyanomethyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: cyanomethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid cyanomethyl ester Formula: C19H13BrN2O3 MolecularWeight: 397.22212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC#N

InChI

InChI=1S/C19H13BrN2O3/c1-24-14-5-2-12(3-6-14)18-11-16(19(23)25-9-8-21)15-10-13(20)4-7-17(15)22-18/h2-7,10-11H,9H2,1H3