O3-tert-butyl O1-methyl 2-(5-nitropyridin-2-yl)propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-(5-nitropyridin-2-yl)propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-(5-nitro-2-pyridyl)propanedioate CAS Name: 2-(5-nitro-2-pyridinyl)propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-(5-nitropyridin-2-yl)propanedioate Traditional Name: 2-(5-nitro-2-pyridyl)malonic acid O1-tert-butyl ester O3-methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)10(11(16)20-4)9-6-5-8(7-14-9)15(18)19/h5-7,10H,1-4H3