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

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-3-methyl-4-[(2-methylphenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-3-methyl-4-[(2-methylbenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(2-methylphenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-3-methyl-4-[(2-methylbenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(o-toluoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C27H22BrN3O4 MolecularWeight: 532.38528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN=C2CCCC3=C2C(=C(O3)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N/N=C/2\CCCC3=C2C(=C(O3)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5)C

InChI

InChI=1S/C27H22BrN3O4/c1-15-7-3-4-8-17(15)26(32)31-30-20-10-5-11-21-23(20)16(2)25(34-21)27(33)35-22-13-12-19(28)18-9-6-14-29-24(18)22/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,31,32)/b30-20+