dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxidanylidenecyclopentyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxidanylidenecyclopentyl]methyl]propanedioate Openeye Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclopentyl]methyl]propanedioate CAS Name: 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclopentyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-(4-nitrophenyl)-[(1S)-2-oxocyclopentyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclopentyl]-(4-nitrophenyl)methyl]malonic acid dimethyl ester Formula: C17H19NO7 MolecularWeight: 349.33526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H19NO7/c1-24-16(20)15(17(21)25-2)14(12-4-3-5-13(12)19)10-6-8-11(9-7-10)18(22)23/h6-9,12,14-15H,3-5H2,1-2H3/t12-,14+/m1/s1