[(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-nitrobenzoate

Systemtic Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-nitrobenzoate Openeye Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] ester IUPAC Name: [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,5S,6S)-6-butyl-1-methyl-7-oxabicyclo[4.1.0]heptan-5-yl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12C(CCCC1(O2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-4-12-18-15(6-5-11-17(18,2)24-18)23-16(20)13-7-9-14(10-8-13)19(21)22/h7-10,15H,3-6,11-12H2,1-2H3/t15-,17+,18-/m0/s1