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

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-ethyl] ester Formula: C23H15Cl2N3O3 MolecularWeight: 452.2895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C23H15Cl2N3O3/c24-15-9-16(25)11-17(10-15)27-22(29)13-31-23(30)19-12-21(14-5-7-26-8-6-14)28-20-4-2-1-3-18(19)20/h1-12H,13H2,(H,27,29)