[(3S,5S)-2-methyl-3-nitro-5-prop-1-en-2-yl-cyclohexen-1-yl] ethanoate

Systemtic Name: [(3S,5S)-2-methyl-3-nitro-5-prop-1-en-2-yl-cyclohexen-1-yl] ethanoate Openeye Name: [(3S,5S)-5-isopropenyl-2-methyl-3-nitro-cyclohexen-1-yl] acetate CAS Name: acetic acid [(3S,5S)-2-methyl-5-(1-methylethenyl)-3-nitro-1-cyclohexenyl] ester IUPAC Name: [(3S,5S)-2-methyl-3-nitro-5-prop-1-en-2-ylcyclohexen-1-yl] acetate Traditional Name: acetic acid [(3S,5S)-5-isopropenyl-2-methyl-3-nitro-cyclohexen-1-yl] ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1[N+](=O)[O-])C(=C)C)OC(=O)C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1[N+](=O)[O-])C(=C)C)OC(=O)C

InChI

InChI=1S/C12H17NO4/c1-7(2)10-5-11(13(15)16)8(3)12(6-10)17-9(4)14/h10-11H,1,5-6H2,2-4H3/t10-,11-/m0/s1