diethyl 2-(2-methyl-1-nitro-3-oxidanylidene-octan-2-yl)propanedioate

Systemtic Name: diethyl 2-(2-methyl-1-nitro-3-oxidanylidene-octan-2-yl)propanedioate Openeye Name: diethyl 2-[1-methyl-1-(nitromethyl)-2-oxo-heptyl]propanedioate CAS Name: 2-(2-methyl-1-nitro-3-oxooctan-2-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-methyl-1-nitro-3-oxooctan-2-yl)propanedioate Traditional Name: 2-[2-keto-1-methyl-1-(nitromethyl)heptyl]malonic acid diethyl ester Formula: C16H27NO7 MolecularWeight: 345.38808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C)(C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)C(C)(C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C16H27NO7/c1-5-8-9-10-12(18)16(4,11-17(21)22)13(14(19)23-6-2)15(20)24-7-3/h13H,5-11H2,1-4H3