diethyl 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]propanedioate

Systemtic Name: diethyl 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]propanedioate Openeye Name: diethyl 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxo-pentyl]propanedioate CAS Name: 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxopentyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxopentyl]propanedioate Traditional Name: 2-[(1S,2S)-3-keto-2-methyl-1-(4-nitrophenyl)pentyl]malonic acid diethyl ester Formula: C19H25NO7 MolecularWeight: 379.4043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO7/c1-5-15(21)12(4)16(13-8-10-14(11-9-13)20(24)25)17(18(22)26-6-2)19(23)27-7-3/h8-12,16-17H,5-7H2,1-4H3/t12-,16-/m1/s1