diethyl (2E)-2-[(3-cyanophenyl)-(3-cyanophenyl)carbonyloxy-methylidene]-4-methylidene-pentanedioate

Systemtic Name: diethyl (2E)-2-[(3-cyanophenyl)-(3-cyanophenyl)carbonyloxy-methylidene]-4-methylidene-pentanedioate Openeye Name: diethyl (2E)-2-[(3-cyanobenzoyl)oxy-(3-cyanophenyl)methylene]-4-methylene-pentanedioate CAS Name: (2E)-2-[(3-cyanophenyl)-[(3-cyanophenyl)-oxomethoxy]methylidene]-4-methylenepentanedioic acid diethyl ester IUPAC Name: diethyl (2E)-2-[(3-cyanobenzoyl)oxy-(3-cyanophenyl)methylidene]-4-methylidenepentanedioate Traditional Name: (2E)-2-[(3-cyanobenzoyl)oxy-(3-cyanophenyl)methylene]-4-methylene-glutaric acid diethyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CC(=C(C1=CC=CC(=C1)C#N)OC(=O)C2=CC=CC(=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C)C/C(=C(/C1=CC=CC(=C1)C#N)\OC(=O)C2=CC=CC(=C2)C#N)/C(=O)OCC

InChI

InChI=1S/C26H22N2O6/c1-4-32-24(29)17(3)12-22(26(31)33-5-2)23(20-10-6-8-18(13-20)15-27)34-25(30)21-11-7-9-19(14-21)16-28/h6-11,13-14H,3-5,12H2,1-2H3/b23-22+