diethyl 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-oxidanylidene-pentanedioate

Systemtic Name: diethyl 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-oxidanylidene-pentanedioate Openeye Name: diethyl 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-oxo-pentanedioate CAS Name: 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-oxopentanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-oxopentanedioate Traditional Name: 2-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-3-keto-glutaric acid diethyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C#N)C(=O)OCC

InChI

InChI=1S/C19H19N3O7/c1-3-28-16(24)9-15(23)18(19(25)29-4-2)17(13(10-20)11-21)12-5-7-14(8-6-12)22(26)27/h5-8,13,17-18H,3-4,9H2,1-2H3