[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C23H16IN3O3 MolecularWeight: 509.29591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C23H16IN3O3/c24-16-7-9-17(10-8-16)26-22(28)14-30-23(29)19-12-21(15-4-3-11-25-13-15)27-20-6-2-1-5-18(19)20/h1-13H,14H2,(H,26,28)