ethyl 4-[[(4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4E)-4-[(5-bromopyridine-3-carbonyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[(4E)-4-[[(5-bromo-3-pyridinyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4E)-4-[(5-bromopyridine-3-carbonyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[(4E)-4-[(5-bromonicotinoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid ethyl ester Formula: C25H23BrN4O5 MolecularWeight: 539.37792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O5/c1-3-34-25(33)15-7-9-18(10-8-15)28-24(32)22-14(2)21-19(5-4-6-20(21)35-22)29-30-23(31)16-11-17(26)13-27-12-16/h7-13H,3-6H2,1-2H3,(H,28,32)(H,30,31)/b29-19+