ethyl 2-cyano-2-(2-nitropropan-2-yl)hexanoate

Systemtic Name: ethyl 2-cyano-2-(2-nitropropan-2-yl)hexanoate Openeye Name: ethyl 2-cyano-2-(1-methyl-1-nitro-ethyl)hexanoate CAS Name: 2-cyano-2-(2-nitropropan-2-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2-nitropropan-2-yl)hexanoate Traditional Name: 2-cyano-2-(1-methyl-1-nitro-ethyl)hexanoic acid ethyl ester Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)(C(=O)OCC)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C#N)(C(=O)OCC)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C12H20N2O4/c1-5-7-8-12(9-13,10(15)18-6-2)11(3,4)14(16)17/h5-8H2,1-4H3