ethyl 5-bromanyl-2-oxidanyl-3-(3-oxidanylidene-3-quinolin-2-yl-propanoyl)benzoate

Systemtic Name: ethyl 5-bromanyl-2-oxidanyl-3-(3-oxidanylidene-3-quinolin-2-yl-propanoyl)benzoate Openeye Name: ethyl 5-bromo-2-hydroxy-3-[3-oxo-3-(2-quinolyl)propanoyl]benzoate CAS Name: 5-bromo-3-[1,3-dioxo-3-(2-quinolinyl)propyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-hydroxy-3-(3-oxo-3-quinolin-2-ylpropanoyl)benzoate Traditional Name: 5-bromo-2-hydroxy-3-[3-keto-3-(2-quinolyl)propanoyl]benzoic acid ethyl ester Formula: C21H16BrNO5 MolecularWeight: 442.25944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)CC(=O)C2=NC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1)Br)C(=O)CC(=O)C2=NC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H16BrNO5/c1-2-28-21(27)15-10-13(22)9-14(20(15)26)18(24)11-19(25)17-8-7-12-5-3-4-6-16(12)23-17/h3-10,26H,2,11H2,1H3