ethyl 4-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-1,3-dioxo-2-isoquinolyl]benzoate CAS Name: 4-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dioxo-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]benzoate Traditional Name: 4-[4-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-1,3-diketo-2-isoquinolyl]benzoic acid ethyl ester Formula: C26H20BrNO6 MolecularWeight: 522.3441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C(=C4)Br)O)OC)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C(=C4)Br)O)OC)C2=O

InChI

InChI=1S/C26H20BrNO6/c1-3-34-26(32)16-8-10-17(11-9-16)28-24(30)19-7-5-4-6-18(19)20(25(28)31)12-15-13-21(27)23(29)22(14-15)33-2/h4-14,29H,3H2,1-2H3