[(1R,3R,4S)-3-ethenyl-3-methyl-4-(nitromethyl)cyclohexyl] ethanoate

Systemtic Name: [(1R,3R,4S)-3-ethenyl-3-methyl-4-(nitromethyl)cyclohexyl] ethanoate Openeye Name: [(1R,3R,4S)-3-methyl-4-(nitromethyl)-3-vinyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,3R,4S)-3-ethenyl-3-methyl-4-(nitromethyl)cyclohexyl] ester IUPAC Name: [(1R,3R,4S)-3-ethenyl-3-methyl-4-(nitromethyl)cyclohexyl] acetate Traditional Name: acetic acid [(1R,3R,4S)-3-methyl-4-(nitromethyl)-3-vinyl-cyclohexyl] ester Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(C1)(C)C=C)C[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-4-12(3)7-11(17-9(2)14)6-5-10(12)8-13(15)16/h4,10-11H,1,5-8H2,2-3H3/t10-,11-,12+/m1/s1