diethyl 2-[3-(nitromethyl)-2-oxidanylidene-pentan-3-yl]propanedioate

Systemtic Name: diethyl 2-[3-(nitromethyl)-2-oxidanylidene-pentan-3-yl]propanedioate Openeye Name: diethyl 2-[1-ethyl-1-(nitromethyl)-2-oxo-propyl]propanedioate CAS Name: 2-[3-(nitromethyl)-2-oxopentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(nitromethyl)-2-oxopentan-3-yl]propanedioate Traditional Name: 2-[1-ethyl-2-keto-1-(nitromethyl)propyl]malonic acid diethyl ester Formula: C13H21NO7 MolecularWeight: 303.30834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO7/c1-5-13(9(4)15,8-14(18)19)10(11(16)20-6-2)12(17)21-7-3/h10H,5-8H2,1-4H3