diethyl 2-(3-cyanopropyl)-2-(5-nitropyridin-2-yl)propanedioate

Systemtic Name: diethyl 2-(3-cyanopropyl)-2-(5-nitropyridin-2-yl)propanedioate Openeye Name: diethyl 2-(3-cyanopropyl)-2-(5-nitro-2-pyridyl)propanedioate CAS Name: 2-(3-cyanopropyl)-2-(5-nitro-2-pyridinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-cyanopropyl)-2-(5-nitropyridin-2-yl)propanedioate Traditional Name: 2-(3-cyanopropyl)-2-(5-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(CCCC#N)(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-3-24-14(20)16(9-5-6-10-17,15(21)25-4-2)13-8-7-12(11-18-13)19(22)23/h7-8,11H,3-6,9H2,1-2H3