tert-butyl 2-[(1S,5R)-5-[(1S)-1-acetyloxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[(1S,5R)-5-[(1S)-1-acetyloxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1S,5R)-5-[(1S)-1-acetoxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]acetate CAS Name: 2-[(1S,5R)-5-[(1S)-1-acetyloxy-2-nitroethyl]-3,3-dimethylcyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,5R)-5-[(1S)-1-acetyloxy-2-nitroethyl]-3,3-dimethylcyclohexyl]acetate Traditional Name: 2-[(1S,5R)-5-[(1S)-1-acetoxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]acetic acid tert-butyl ester Formula: C18H31NO6 MolecularWeight: 357.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+](=O)[O-])C1CC(CC(C1)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO6/c1-12(20)24-15(11-19(22)23)14-7-13(9-18(5,6)10-14)8-16(21)25-17(2,3)4/h13-15H,7-11H2,1-6H3/t13-,14-,15-/m1/s1