cyanomethyl 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: cyanomethyl 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: cyanomethyl 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid cyanomethyl ester Formula: C18H11BrN2O2 MolecularWeight: 367.19614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrN2O2/c19-13-5-3-4-12(10-13)17-11-15(18(22)23-9-8-20)14-6-1-2-7-16(14)21-17/h1-7,10-11H,9H2