diethyl 2-[1-(5-chloranyl-2-oxidanyl-phenyl)-4-oxidanylidene-quinolin-2-yl]propanedioate

Systemtic Name: diethyl 2-[1-(5-chloranyl-2-oxidanyl-phenyl)-4-oxidanylidene-quinolin-2-yl]propanedioate Openeye Name: diethyl 2-[1-(5-chloro-2-hydroxy-phenyl)-4-oxo-2-quinolyl]propanedioate CAS Name: 2-[1-(5-chloro-2-hydroxyphenyl)-4-oxo-2-quinolinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(5-chloro-2-hydroxyphenyl)-4-oxoquinolin-2-yl]propanedioate Traditional Name: 2-[1-(5-chloro-2-hydroxy-phenyl)-4-keto-2-quinolyl]malonic acid diethyl ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=O)C2=CC=CC=C2N1C3=C(C=CC(=C3)Cl)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC(=O)C2=CC=CC=C2N1C3=C(C=CC(=C3)Cl)O)C(=O)OCC

InChI

InChI=1S/C22H20ClNO6/c1-3-29-21(27)20(22(28)30-4-2)17-12-19(26)14-7-5-6-8-15(14)24(17)16-11-13(23)9-10-18(16)25/h5-12,20,25H,3-4H2,1-2H3