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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3-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 (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) (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 (4-chloro-3-methyl-phenyl) ester Formula: C25H22ClN3O6 MolecularWeight: 495.91168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O6/c1-14-12-18(10-11-19(14)26)34-25(31)24-15(2)23-20(4-3-5-21(23)35-24)27-28-22(30)13-16-6-8-17(9-7-16)29(32)33/h6-12H,3-5,13H2,1-2H3,(H,28,30)/b27-20+