[(1S)-1-[(2R,4S)-4-prop-2-enyloxolan-2-yl]propyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(2R,4S)-4-prop-2-enyloxolan-2-yl]propyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2R,4S)-4-allyltetrahydrofuran-2-yl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(2R,4S)-4-prop-2-enyl-2-oxolanyl]propyl] ester IUPAC Name: [(1S)-1-[(2R,4S)-4-prop-2-enyloxolan-2-yl]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2R,4S)-4-allyltetrahydrofuran-2-yl]propyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC(CO1)CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H]1C[C@@H](CO1)CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-3-5-12-10-16(22-11-12)15(4-2)23-17(19)13-6-8-14(9-7-13)18(20)21/h3,6-9,12,15-16H,1,4-5,10-11H2,2H3/t12-,15-,16+/m0/s1