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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) (4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3-methyl-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-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) (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-chloro-3-methyl-phenyl) ester Formula: C23H19BrClN3O4 MolecularWeight: 516.77166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC(=CN=C4)Br)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC(=CN=C4)Br)C)Cl

InChI

InChI=1S/C23H19BrClN3O4/c1-12-8-16(6-7-17(12)25)31-23(30)21-13(2)20-18(4-3-5-19(20)32-21)27-28-22(29)14-9-15(24)11-26-10-14/h6-11H,3-5H2,1-2H3,(H,28,29)/b27-18+