[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-nitrobenzoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H23NO4/c1-11(2)15-9-4-12(3)10-16(15)22-17(19)13-5-7-14(8-6-13)18(20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-/m0/s1