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

Systemtic Name: ethyl 2-[(1S,3R)-3-ethyl-1-(nitromethyl)cyclohexyl]ethanoate Openeye Name: ethyl 2-[(1S,3R)-3-ethyl-1-(nitromethyl)cyclohexyl]acetate CAS Name: 2-[(1S,3R)-3-ethyl-1-(nitromethyl)cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,3R)-3-ethyl-1-(nitromethyl)cyclohexyl]acetate Traditional Name: 2-[(1S,3R)-3-ethyl-1-(nitromethyl)cyclohexyl]acetic acid ethyl ester Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC(C1)(CC(=O)OCC)C[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4/c1-3-11-6-5-7-13(8-11,10-14(16)17)9-12(15)18-4-2/h11H,3-10H2,1-2H3/t11-,13+/m1/s1