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

Systemtic Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) (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 (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (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 (3,5-dimethylphenyl) ester Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O6/c1-15-11-16(2)13-20(12-15)34-26(31)25-17(3)24-21(5-4-6-22(24)35-25)27-28-23(30)14-18-7-9-19(10-8-18)29(32)33/h7-13H,4-6,14H2,1-3H3,(H,28,30)/b27-21+