[(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] 4-nitrobenzoate

Systemtic Name: [(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] 4-nitrobenzoate Openeye Name: [(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] ester IUPAC Name: [(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2S,6S)-1-methyl-6-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CCCC1(O2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@]12[C@H](CCC[C@]1(O2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO5/c1-19-17(25-18(22)14-9-11-16(12-10-14)21(23)24)8-5-13-20(19,26-19)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3/t17-,19-,20-/m0/s1