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

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-3-methyl-4-(phenylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(phenylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=CC=CC=C3)CCC2)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC3=CC=CC=C3)/CCC2)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C25H20BrN3O3/c1-15-22-19(29-28-16-7-3-2-4-8-16)10-5-11-20(22)31-24(15)25(30)32-21-13-12-18(26)17-9-6-14-27-23(17)21/h2-4,6-9,12-14,28H,5,10-11H2,1H3/b29-19+