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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)N(C)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)N(C)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23BrN4O5/c1-14-21-18(28-29-23(31)15-11-16(26)13-27-12-15)8-6-10-20(21)35-22(14)24(32)30(2)19-9-5-4-7-17(19)25(33)34-3/h4-5,7,9,11-13H,6,8,10H2,1-3H3,(H,29,31)/b28-18+