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

Systemtic Name: [4-(4-cyanophenyl)phenyl] (4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] (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 [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (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 [4-(4-cyanophenyl)phenyl] ester Formula: C29H21BrN4O4 MolecularWeight: 569.40544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H21BrN4O4/c1-17-26-24(33-34-28(35)21-13-22(30)16-32-15-21)3-2-4-25(26)38-27(17)29(36)37-23-11-9-20(10-12-23)19-7-5-18(14-31)6-8-19/h5-13,15-16H,2-4H2,1H3,(H,34,35)/b33-24+