4-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: 4-(5-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoate CAS Name: 4-(5-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoate IUPAC Name: 4-(5-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: 4-(5-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)butyrate Formula: C16H11BrNO4- MolecularWeight: 361.16684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])Br

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])Br

InChI

InChI=1S/C16H12BrNO4/c17-10-7-9-3-1-4-11-14(9)12(8-10)16(22)18(15(11)21)6-2-5-13(19)20/h1,3-4,7-8H,2,5-6H2,(H,19,20)/p-1