[(1S,2R)-2-chloranylcyclooctyl] 4-nitrobenzoate

Systemtic Name: [(1S,2R)-2-chloranylcyclooctyl] 4-nitrobenzoate Openeye Name: [(1S,2R)-2-chlorocyclooctyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R)-2-chlorocyclooctyl] ester IUPAC Name: [(1S,2R)-2-chlorocyclooctyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R)-2-chlorocyclooctyl] ester Formula: C15H18ClNO4 MolecularWeight: 311.76072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC[C@H]([C@H](CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H18ClNO4/c16-13-5-3-1-2-4-6-14(13)21-15(18)11-7-9-12(10-8-11)17(19)20/h7-10,13-14H,1-6H2/t13-,14+/m1/s1