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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] ethanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl] acetate CAS Name: acetic acid [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] acetate Traditional Name: acetic acid [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-12-5-10-16(17(11-12)23-13(2)20)18(3,4)14-6-8-15(9-7-14)19(21)22/h6-9,12,16-17H,5,10-11H2,1-4H3/t12-,16-,17-/m1/s1