quinolin-8-yl (4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: quinolin-8-yl (4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 8-quinolyl (4E)-4-[(5-bromopyridine-3-carbonyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl (4E)-4-[(5-bromopyridine-3-carbonyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(5-bromonicotinoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid 8-quinolyl ester Formula: C25H19BrN4O4 MolecularWeight: 519.34676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)OC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)OC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H19BrN4O4/c1-14-21-18(29-30-24(31)16-11-17(26)13-27-12-16)7-3-8-19(21)33-23(14)25(32)34-20-9-2-5-15-6-4-10-28-22(15)20/h2,4-6,9-13H,3,7-8H2,1H3,(H,30,31)/b29-18+