diethyl 2-(3-chloranyl-5-nitro-pyridin-2-yl)propanedioate

Systemtic Name: diethyl 2-(3-chloranyl-5-nitro-pyridin-2-yl)propanedioate Openeye Name: diethyl 2-(3-chloro-5-nitro-2-pyridyl)propanedioate CAS Name: 2-(3-chloro-5-nitro-2-pyridinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-chloro-5-nitropyridin-2-yl)propanedioate Traditional Name: 2-(3-chloro-5-nitro-2-pyridyl)malonic acid diethyl ester Formula: C12H13ClN2O6 MolecularWeight: 316.69442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O6/c1-3-20-11(16)9(12(17)21-4-2)10-8(13)5-7(6-14-10)15(18)19/h5-6,9H,3-4H2,1-2H3