diethyl 2-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-nitro-phenyl]-2-methyl-propanedioate

Systemtic Name: diethyl 2-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4-nitro-phenyl]-2-methyl-propanedioate Openeye Name: diethyl 2-[3-(1-cyano-2-ethoxy-2-oxo-ethyl)-4-nitro-phenyl]-2-methyl-propanedioate CAS Name: 2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-4-nitrophenyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(1-cyano-2-ethoxy-2-oxoethyl)-4-nitrophenyl]-2-methylpropanedioate Traditional Name: 2-[3-(1-cyano-2-ethoxy-2-keto-ethyl)-4-nitro-phenyl]-2-methyl-malonic acid diethyl ester Formula: C19H22N2O8 MolecularWeight: 406.38658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O8/c1-5-27-16(22)14(11-20)13-10-12(8-9-15(13)21(25)26)19(4,17(23)28-6-2)18(24)29-7-3/h8-10,14H,5-7H2,1-4H3