6-bromanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H15Br2NO5 MolecularWeight: 557.1876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O)Br

InChI

InChI=1S/C24H15Br2NO5/c25-15-6-7-16-17(9-15)21(13-4-2-1-3-5-13)22(24(29)30)27(23(16)28)11-14-8-19-20(10-18(14)26)32-12-31-19/h1-10H,11-12H2,(H,29,30)