O1-ethyl O3-propyl 2-acetamido-2-(4-methyl-4-nitro-pentyl)propanedioate

Systemtic Name: O1-ethyl O3-propyl 2-acetamido-2-(4-methyl-4-nitro-pentyl)propanedioate Openeye Name: O1-ethyl O3-propyl 2-acetamido-2-(4-methyl-4-nitro-pentyl)propanedioate CAS Name: 2-acetamido-2-(4-methyl-4-nitropentyl)propanedioic acid O1-ethyl ester O3-propyl ester IUPAC Name: 1-O-ethyl 3-O-propyl 2-acetamido-2-(4-methyl-4-nitropentyl)propanedioate Traditional Name: 2-acetamido-2-(4-methyl-4-nitro-pentyl)malonic acid O1-ethyl ester O3-propyl ester Formula: C16H28N2O7 MolecularWeight: 360.40272

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CCCC(C)(C)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCOC(=O)C(CCCC(C)(C)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H28N2O7/c1-6-11-25-14(21)16(17-12(3)19,13(20)24-7-2)10-8-9-15(4,5)18(22)23/h6-11H2,1-5H3,(H,17,19)