[(1R,5R)-3-methoxycarbonyl-5-oxidanyl-cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,5R)-3-methoxycarbonyl-5-oxidanyl-cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,5R)-5-hydroxy-3-methoxycarbonyl-cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,5R)-5-hydroxy-3-methoxycarbonyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-5-hydroxy-3-methoxycarbonylcyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,5R)-3-carbomethoxy-5-hydroxy-cyclohex-2-en-1-yl] ester Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO7/c1-22-14(18)10-6-12(17)8-13(7-10)23-15(19)9-2-4-11(5-3-9)16(20)21/h2-5,7,12-13,17H,6,8H2,1H3/t12-,13+/m1/s1