[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C25H15BrClN3O3 MolecularWeight: 520.7619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C25H15BrClN3O3/c26-17-5-3-4-15(10-17)23-12-20(19-6-1-2-7-21(19)29-23)25(32)33-14-24(31)30-22-11-18(27)9-8-16(22)13-28/h1-12H,14H2,(H,30,31)