[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] ester IUPAC Name: [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC[C@H](O1)[C@H](CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19NO6/c1-4-5-13(14-10-21-16(2,3)23-14)22-15(18)11-6-8-12(9-7-11)17(19)20/h4,6-9,13-14H,1,5,10H2,2-3H3/t13-,14-/m0/s1