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

Systemtic Name: tert-butyl 2-[(1S,5R)-3,3-dimethyl-5-(2-nitroethyl)cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1S,5R)-3,3-dimethyl-5-(2-nitroethyl)cyclohexyl]acetate CAS Name: 2-[(1S,5R)-3,3-dimethyl-5-(2-nitroethyl)cyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,5R)-3,3-dimethyl-5-(2-nitroethyl)cyclohexyl]acetate Traditional Name: 2-[(1S,5R)-3,3-dimethyl-5-(2-nitroethyl)cyclohexyl]acetic acid tert-butyl ester Formula: C16H29NO4 MolecularWeight: 299.40576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO4/c1-15(2,3)21-14(18)9-13-8-12(6-7-17(19)20)10-16(4,5)11-13/h12-13H,6-11H2,1-5H3/t12-,13-/m1/s1