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

Systemtic Name: dimethyl 2-[(1S,2S)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C17H21NO7 MolecularWeight: 351.35114

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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)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO7/c1-5-13(19)10(2)14(15(16(20)24-3)17(21)25-4)11-6-8-12(9-7-11)18(22)23/h6-10,14-15H,5H2,1-4H3/t10-,14-/m1/s1