methyl (1R,4R,5R)-1-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R,4R,5R)-1-[(4-nitrophenyl)methoxy]-4,5-bis(oxidanyl)cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R,4R,5R)-4,5-dihydroxy-1-[(4-nitrophenyl)methoxy]cyclohex-2-ene-1-carboxylate CAS Name: (1R,4R,5R)-4,5-dihydroxy-1-[(4-nitrophenyl)methoxy]-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,4R,5R)-4,5-dihydroxy-1-[(4-nitrophenyl)methoxy]cyclohex-2-ene-1-carboxylate Traditional Name: (1R,4R,5R)-4,5-dihydroxy-1-(4-nitrobenzyl)oxy-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@]1(C[C@H]([C@@H](C=C1)O)O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17NO7/c1-22-14(19)15(7-6-12(17)13(18)8-15)23-9-10-2-4-11(5-3-10)16(20)21/h2-7,12-13,17-18H,8-9H2,1H3/t12-,13-,15+/m1/s1