(3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexene-1-carbaldehyde

Systemtic Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexene-1-carbaldehyde Openeye Name: (3R,4S,5R)-5-(benzyloxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carbaldehyde CAS Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)-1-cyclohexenecarboxaldehyde IUPAC Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexene-1-carbaldehyde Traditional Name: (3R,4S,5R)-5-(benzoxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carbaldehyde Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-21-15-8-13(9-18)7-14(16(15)17(19)20)11-22-10-12-5-3-2-4-6-12/h2-6,8-9,14-16H,7,10-11H2,1H3/t14-,15+,16-/m0/s1