ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propyl-cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propyl-cyclohexyl]ethanoate Openeye Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propyl-cyclohexyl]acetate CAS Name: 2-[(1S,3R)-1-(nitromethyl)-3-propylcyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-propylcyclohexyl]acetate Traditional Name: 2-[(1S,3R)-1-(nitromethyl)-3-propyl-cyclohexyl]acetic acid ethyl ester Formula: C14H25NO4 MolecularWeight: 271.3526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(C1)(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO4/c1-3-6-12-7-5-8-14(9-12,11-15(17)18)10-13(16)19-4-2/h12H,3-11H2,1-2H3/t12-,14+/m1/s1