ethyl 4-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-(6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl)benzoic acid ethyl ester Formula: C21H14BrNO4 MolecularWeight: 424.24416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O

InChI

InChI=1S/C21H14BrNO4/c1-2-27-21(26)12-6-8-13(9-7-12)23-19(24)15-5-3-4-14-17(22)11-10-16(18(14)15)20(23)25/h3-11H,2H2,1H3