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

Systemtic Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-phenyl-cyclohexyl]ethanoate Openeye Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-phenyl-cyclohexyl]acetate CAS Name: 2-[(1S,3R)-1-(nitromethyl)-3-phenylcyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S,3R)-1-(nitromethyl)-3-phenylcyclohexyl]acetate Traditional Name: 2-[(1S,3R)-1-(nitromethyl)-3-phenyl-cyclohexyl]acetic acid ethyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCC(C1)C2=CC=CC=C2)C[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[C@@]1(CCC[C@H](C1)C2=CC=CC=C2)C[N+](=O)[O-]

InChI

InChI=1S/C17H23NO4/c1-2-22-16(19)12-17(13-18(20)21)10-6-9-15(11-17)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-,17+/m1/s1