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

Systemtic Name: diethyl 2-(5-bromanyl-3-nitro-pyridin-2-yl)-2-(2-cyanoethyl)propanedioate Openeye Name: diethyl 2-(5-bromo-3-nitro-2-pyridyl)-2-(2-cyanoethyl)propanedioate CAS Name: 2-(5-bromo-3-nitro-2-pyridinyl)-2-(2-cyanoethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-bromo-3-nitropyridin-2-yl)-2-(2-cyanoethyl)propanedioate Traditional Name: 2-(5-bromo-3-nitro-2-pyridyl)-2-(2-cyanoethyl)malonic acid diethyl ester Formula: C15H16BrN3O6 MolecularWeight: 414.20804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O6/c1-3-24-13(20)15(6-5-7-17,14(21)25-4-2)12-11(19(22)23)8-10(16)9-18-12/h8-9H,3-6H2,1-2H3