cyanomethyl 2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxylate

Systemtic Name: cyanomethyl 2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxylate Openeye Name: cyanomethyl 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2,3,4-trichlorophenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2,3,4-trichlorophenyl)cinchoninic acid cyanomethyl ester Formula: C18H9Cl3N2O2 MolecularWeight: 391.63526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)OCC#N

InChI

InChI=1S/C18H9Cl3N2O2/c19-13-6-5-11(16(20)17(13)21)15-9-12(18(24)25-8-7-22)10-3-1-2-4-14(10)23-15/h1-6,9H,8H2