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

Systemtic Name: tert-butyl 2-[(1S,5R)-3,3-dimethyl-5-[(1S)-2-nitro-1-oxidanyl-ethyl]cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1S,5R)-5-[(1S)-1-hydroxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]acetate CAS Name: 2-[(1S,5R)-5-[(1S)-1-hydroxy-2-nitroethyl]-3,3-dimethylcyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,5R)-5-[(1S)-1-hydroxy-2-nitroethyl]-3,3-dimethylcyclohexyl]acetate Traditional Name: 2-[(1S,5R)-5-[(1S)-1-hydroxy-2-nitro-ethyl]-3,3-dimethyl-cyclohexyl]acetic acid tert-butyl ester Formula: C16H29NO5 MolecularWeight: 315.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)C(C[N+](=O)[O-])O)CC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C[C@H](C[C@H](C1)[C@@H](C[N+](=O)[O-])O)CC(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H29NO5/c1-15(2,3)22-14(19)7-11-6-12(9-16(4,5)8-11)13(18)10-17(20)21/h11-13,18H,6-10H2,1-5H3/t11-,12-,13-/m1/s1