[(1S,4R,5R)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-nitrobenzoate

Systemtic Name: [(1S,4R,5R)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-nitrobenzoate Openeye Name: [(1S,4R,5R)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,4R,5R)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] ester IUPAC Name: [(1S,4R,5R)-1-methyl-5-pentyl-6-oxabicyclo[3.1.0]hexan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,4R,5R)-5-amyl-1-methyl-6-oxabicyclo[3.1.0]hexan-4-yl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12C(CCC1(O2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-3-4-5-11-18-15(10-12-17(18,2)24-18)23-16(20)13-6-8-14(9-7-13)19(21)22/h6-9,15H,3-5,10-12H2,1-2H3/t15-,17+,18-/m1/s1