diethyl 2-(2-cyanoethyl)-2-(5-nitropyridin-2-yl)propanedioate

Systemtic Name: diethyl 2-(2-cyanoethyl)-2-(5-nitropyridin-2-yl)propanedioate Openeye Name: diethyl 2-(2-cyanoethyl)-2-(5-nitro-2-pyridyl)propanedioate CAS Name: 2-(2-cyanoethyl)-2-(5-nitro-2-pyridinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-cyanoethyl)-2-(5-nitropyridin-2-yl)propanedioate Traditional Name: 2-(2-cyanoethyl)-2-(5-nitro-2-pyridyl)malonic acid diethyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-3-23-13(19)15(8-5-9-16,14(20)24-4-2)12-7-6-11(10-17-12)18(21)22/h6-7,10H,3-5,8H2,1-2H3