diethyl 2-(2-cyanoethyl)-2-(5-methyl-3-nitro-pyridin-2-yl)propanedioate

Systemtic Name: diethyl 2-(2-cyanoethyl)-2-(5-methyl-3-nitro-pyridin-2-yl)propanedioate Openeye Name: diethyl 2-(2-cyanoethyl)-2-(5-methyl-3-nitro-2-pyridyl)propanedioate CAS Name: 2-(2-cyanoethyl)-2-(5-methyl-3-nitro-2-pyridinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-cyanoethyl)-2-(5-methyl-3-nitropyridin-2-yl)propanedioate Traditional Name: 2-(2-cyanoethyl)-2-(5-methyl-3-nitro-2-pyridyl)malonic acid diethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#N)(C1=C(C=C(C=N1)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC#N)(C1=C(C=C(C=N1)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O6/c1-4-24-14(20)16(7-6-8-17,15(21)25-5-2)13-12(19(22)23)9-11(3)10-18-13/h9-10H,4-7H2,1-3H3