tert-butyl 2-[(1S,2R)-2-nitro-2-(phenylmethyl)cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[(1S,2R)-2-nitro-2-(phenylmethyl)cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1S,2R)-2-benzyl-2-nitro-cyclohexyl]acetate CAS Name: 2-[(1S,2R)-2-nitro-2-(phenylmethyl)cyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,2R)-2-benzyl-2-nitrocyclohexyl]acetate Traditional Name: 2-[(1S,2R)-2-benzyl-2-nitro-cyclohexyl]acetic acid tert-butyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCCCC1(CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H]1CCCC[C@]1(CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H27NO4/c1-18(2,3)24-17(21)13-16-11-7-8-12-19(16,20(22)23)14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-,19+/m0/s1