(2S,3R)-3-bromanyl-2-[(4-nitrophenyl)methoxy]oxepane

Systemtic Name: (2S,3R)-3-bromanyl-2-[(4-nitrophenyl)methoxy]oxepane Openeye Name: (2S,3R)-3-bromo-2-[(4-nitrophenyl)methoxy]oxepane CAS Name: (2S,3R)-3-bromo-2-[(4-nitrophenyl)methoxy]oxepane IUPAC Name: (2S,3R)-3-bromo-2-[(4-nitrophenyl)methoxy]oxepane Traditional Name: (2S,3R)-3-bromo-2-(4-nitrobenzyl)oxy-oxepane Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C(C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCO[C@H]([C@@H](C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c14-12-3-1-2-8-18-13(12)19-9-10-4-6-11(7-5-10)15(16)17/h4-7,12-13H,1-3,8-9H2/t12-,13+/m1/s1