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

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) (4E)-3-methyl-4-[(4-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C25H22ClN3O6 MolecularWeight: 495.91168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22ClN3O6/c1-13-11-18(12-14(2)22(13)26)34-25(31)23-15(3)21-19(5-4-6-20(21)35-23)27-28-24(30)16-7-9-17(10-8-16)29(32)33/h7-12H,4-6H2,1-3H3,(H,28,30)/b27-19+