[(2S,3S)-5-oxidanylidene-2-pentyl-oxolan-3-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,3S)-5-oxidanylidene-2-pentyl-oxolan-3-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,3S)-5-oxo-2-pentyl-tetrahydrofuran-3-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S)-5-oxo-2-pentyl-3-oxolanyl]methyl ester IUPAC Name: [(2S,3S)-5-oxo-2-pentyloxolan-3-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S)-2-amyl-5-keto-tetrahydrofuran-3-yl]methyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CC(=O)O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H]1[C@@H](CC(=O)O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO6/c1-2-3-4-5-15-13(10-16(19)24-15)11-23-17(20)12-6-8-14(9-7-12)18(21)22/h6-9,13,15H,2-5,10-11H2,1H3/t13-,15-/m0/s1