(5-bromanylquinolin-8-yl) (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-3-methyl-4-(quinolin-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(2-quinolinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-3-methyl-4-(quinoline-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(quinaldoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C29H21BrN4O4 MolecularWeight: 569.40544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=NC4=CC=CC=C4C=C3)CCC2)C(=O)OC5=C6C(=C(C=C5)Br)C=CC=N6

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=NC4=CC=CC=C4C=C3)/CCC2)C(=O)OC5=C6C(=C(C=C5)Br)C=CC=N6

InChI

InChI=1S/C29H21BrN4O4/c1-16-25-21(33-34-28(35)22-13-11-17-6-2-3-8-20(17)32-22)9-4-10-23(25)37-27(16)29(36)38-24-14-12-19(30)18-7-5-15-31-26(18)24/h2-3,5-8,11-15H,4,9-10H2,1H3,(H,34,35)/b33-21+