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

Systemtic Name: [(1R,3R,4S)-3-ethenyl-3-methyl-4-(1-nitroethenyl)cyclohexyl] ethanoate Openeye Name: [(1R,3R,4S)-3-methyl-4-(1-nitrovinyl)-3-vinyl-cyclohexyl] acetate CAS Name: acetic acid [(1R,3R,4S)-3-ethenyl-3-methyl-4-(1-nitroethenyl)cyclohexyl] ester IUPAC Name: [(1R,3R,4S)-3-ethenyl-3-methyl-4-(1-nitroethenyl)cyclohexyl] acetate Traditional Name: acetic acid [(1R,3R,4S)-3-methyl-4-(1-nitrovinyl)-3-vinyl-cyclohexyl] ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-5-13(4)8-11(18-10(3)15)6-7-12(13)9(2)14(16)17/h5,11-12H,1-2,6-8H2,3-4H3/t11-,12-,13+/m1/s1