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

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-4-(ethoxycarbonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-4-(ethoxycarbonylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(ethoxycarbonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-4-(ethoxycarbonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-(carbethoxyhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C22H20BrN3O5 MolecularWeight: 486.3153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN=C1CCCC2=C1C(=C(O2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4)C

Isomeric SMILES

CCOC(=O)N/N=C/1\CCCC2=C1C(=C(O2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4)C

InChI

InChI=1S/C22H20BrN3O5/c1-3-29-22(28)26-25-15-7-4-8-16-18(15)12(2)20(30-16)21(27)31-17-10-9-14(23)13-6-5-11-24-19(13)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,26,28)/b25-15+