tert-butyl 2-[(1S,2R,3S)-2-nitro-3-phenyl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[(1S,2R,3S)-2-nitro-3-phenyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1S,2R,3S)-2-nitro-3-phenyl-cyclohexyl]acetate CAS Name: 2-[(1S,2R,3S)-2-nitro-3-phenylcyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1S,2R,3S)-2-nitro-3-phenylcyclohexyl]acetate Traditional Name: 2-[(1S,2R,3S)-2-nitro-3-phenyl-cyclohexyl]acetic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCCC(C1[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-16(20)12-14-10-7-11-15(17(14)19(21)22)13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,7,10-12H2,1-3H3/t14-,15-,17+/m0/s1