(4-bromanyl-2-propanoyl-phenyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: (4-bromanyl-2-propanoyl-phenyl) 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: (4-bromo-2-propanoyl-phenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [4-bromo-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-bromo-2-propanoylphenyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)butyric acid (4-bromo-2-propionyl-phenyl) ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C25H20BrNO5/c1-2-20(28)19-14-16(26)11-12-21(19)32-22(29)10-5-13-27-24(30)17-8-3-6-15-7-4-9-18(23(15)17)25(27)31/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3