diethyl 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-oxidanylidene-pentanedioate

Systemtic Name: diethyl 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-oxidanylidene-pentanedioate Openeye Name: diethyl 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-oxo-pentanedioate CAS Name: 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-oxopentanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-oxopentanedioate Traditional Name: 2-[2,2-dicyano-1-(3-phenoxyphenyl)ethyl]-3-keto-glutaric acid diethyl ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(C(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)C(C(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C#N)C#N)C(=O)OCC

InChI

InChI=1S/C25H24N2O6/c1-3-31-22(29)14-21(28)24(25(30)32-4-2)23(18(15-26)16-27)17-9-8-12-20(13-17)33-19-10-6-5-7-11-19/h5-13,18,23-24H,3-4,14H2,1-2H3