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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCC(C1)C(C)C)C[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H25NO4/c1-4-19-13(16)9-14(10-15(17)18)7-5-6-12(8-14)11(2)3/h11-12H,4-10H2,1-3H3/t12-,14+/m1/s1