[(1S)-1-[(4R,5S)-3,5-dimethyl-2-oxidanylidene-1,3-oxazolidin-4-yl]but-3-enyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(4R,5S)-3,5-dimethyl-2-oxidanylidene-1,3-oxazolidin-4-yl]but-3-enyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(4R,5S)-3,5-dimethyl-2-oxo-oxazolidin-4-yl]but-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(4R,5S)-3,5-dimethyl-2-oxo-4-oxazolidinyl]but-3-enyl] ester IUPAC Name: [(1S)-1-[(4R,5S)-3,5-dimethyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(4R,5S)-2-keto-3,5-dimethyl-oxazolidin-4-yl]but-3-enyl] ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(=O)O1)C)C(CC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-4-5-13(14-10(2)23-16(20)17(14)3)24-15(19)11-6-8-12(9-7-11)18(21)22/h4,6-10,13-14H,1,5H2,2-3H3/t10-,13-,14+/m0/s1