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

Systemtic Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-5-(benzyloxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-3-methoxy-4-nitro-5-(phenylmethoxymethyl)cyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-5-(benzoxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylic acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO6/c1-22-14-8-12(16(18)19)7-13(15(14)17(20)21)10-23-9-11-5-3-2-4-6-11/h2-6,8,13-15H,7,9-10H2,1H3,(H,18,19)/t13-,14+,15-/m0/s1