[1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H17Cl2N3O3 MolecularWeight: 466.31608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C24H17Cl2N3O3/c1-14(23(30)28-18-10-16(25)9-17(26)11-18)32-24(31)20-12-22(15-5-4-8-27-13-15)29-21-7-3-2-6-19(20)21/h2-14H,1H3,(H,28,30)