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

Systemtic Name: diethyl 2-(3-cyanopropyl)-2-(5-methyl-3-nitro-pyridin-2-yl)propanedioate Openeye Name: diethyl 2-(3-cyanopropyl)-2-(5-methyl-3-nitro-2-pyridyl)propanedioate CAS Name: 2-(3-cyanopropyl)-2-(5-methyl-3-nitro-2-pyridinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyanopropyl)-2-(5-methyl-3-nitropyridin-2-yl)propanedioate Traditional Name: 2-(3-cyanopropyl)-2-(5-methyl-3-nitro-2-pyridyl)malonic acid diethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-4-25-15(21)17(8-6-7-9-18,16(22)26-5-2)14-13(20(23)24)10-12(3)11-19-14/h10-11H,4-8H2,1-3H3