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

Systemtic Name: methyl 2-[[(4E)-4-[(5-bromanylpyridin-3-yl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H21BrN4O5 MolecularWeight: 525.35134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C24H21BrN4O5/c1-13-20-18(28-29-22(30)14-10-15(25)12-26-11-14)8-5-9-19(20)34-21(13)23(31)27-17-7-4-3-6-16(17)24(32)33-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,27,31)(H,29,30)/b28-18+