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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=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)17-7-4-5-8-18(17)28-24(32)22-14(2)21-19(9-6-10-20(21)35-22)29-30-23(31)15-11-16(26)13-27-12-15/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H,28,32)(H,30,31)/b29-19+