(5-methyl-2-propan-2-yl-phenyl) (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[2-(4-nitrophenyl)-1-oxoethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C28H29N3O6 MolecularWeight: 503.54636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H29N3O6/c1-16(2)21-13-8-17(3)14-24(21)37-28(33)27-18(4)26-22(6-5-7-23(26)36-27)29-30-25(32)15-19-9-11-20(12-10-19)31(34)35/h8-14,16H,5-7,15H2,1-4H3,(H,30,32)/b29-22+