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

Systemtic Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23N3O6/c1-14-10-15(2)12-19(11-14)33-25(30)23-16(3)22-20(8-5-9-21(22)34-23)26-27-24(29)17-6-4-7-18(13-17)28(31)32/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,27,29)/b26-20+