diethyl 2-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedioate

Systemtic Name: diethyl 2-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedioate Openeye Name: diethyl 2-[(1R)-1-(4-nitrophenyl)-3-oxo-butyl]propanedioate CAS Name: 2-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]propanedioate Traditional Name: 2-[(1R)-3-keto-1-(4-nitrophenyl)butyl]malonic acid diethyl ester Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@@H](CC(=O)C)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H21NO7/c1-4-24-16(20)15(17(21)25-5-2)14(10-11(3)19)12-6-8-13(9-7-12)18(22)23/h6-9,14-15H,4-5,10H2,1-3H3/t14-/m0/s1