[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-(2,6-dichloroanilino)-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-(2,6-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloroanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-(2,6-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=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC(=O)NC4=C(C=CC=C4Cl)Cl

InChI

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