[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C23H14Cl2N2O3 MolecularWeight: 437.27486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C23H14Cl2N2O3/c24-15-7-8-19(25)18(10-15)22(28)13-30-23(29)17-11-21(14-4-3-9-26-12-14)27-20-6-2-1-5-16(17)20/h1-12H,13H2