dimethyl 2-(1-nitroheptan-2-yl)propanedioate

Systemtic Name: dimethyl 2-(1-nitroheptan-2-yl)propanedioate Openeye Name: dimethyl 2-[1-(nitromethyl)hexyl]propanedioate CAS Name: 2-(1-nitroheptan-2-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-nitroheptan-2-yl)propanedioate Traditional Name: 2-[1-(nitromethyl)hexyl]malonic acid dimethyl ester Formula: C12H21NO6 MolecularWeight: 275.29824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO6/c1-4-5-6-7-9(8-13(16)17)10(11(14)18-2)12(15)19-3/h9-10H,4-8H2,1-3H3