[(3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexen-1-yl]methanol

Systemtic Name: [(3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexen-1-yl]methanol Openeye Name: [(3R,4S,5R)-5-(benzyloxymethyl)-3-methoxy-4-nitro-cyclohexen-1-yl]methanol CAS Name: [(3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)-1-cyclohexenyl]methanol IUPAC Name: [(3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexen-1-yl]methanol Traditional Name: [(3R,4S,5R)-5-(benzoxymethyl)-3-methoxy-4-nitro-cyclohexen-1-yl]methanol Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(CC(C1[N+](=O)[O-])COCC2=CC=CC=C2)CO

Isomeric SMILES

CO[C@@H]1C=C(C[C@H]([C@@H]1[N+](=O)[O-])COCC2=CC=CC=C2)CO

InChI

InChI=1S/C16H21NO5/c1-21-15-8-13(9-18)7-14(16(15)17(19)20)11-22-10-12-5-3-2-4-6-12/h2-6,8,14-16,18H,7,9-11H2,1H3/t14-,15+,16-/m0/s1