[(1S,2S,5S)-2,5-dimethylcyclohexyl] 2-nitroethanoate

Systemtic Name: [(1S,2S,5S)-2,5-dimethylcyclohexyl] 2-nitroethanoate Openeye Name: [(1S,2S,5S)-2,5-dimethylcyclohexyl] 2-nitroacetate CAS Name: 2-nitroacetic acid [(1S,2S,5S)-2,5-dimethylcyclohexyl] ester IUPAC Name: [(1S,2S,5S)-2,5-dimethylcyclohexyl] 2-nitroacetate Traditional Name: 2-nitroacetic acid [(1S,2S,5S)-2,5-dimethylcyclohexyl] ester Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO4/c1-7-3-4-8(2)9(5-7)15-10(12)6-11(13)14/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m0/s1