[(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-1-cyclohex-2-enyl] ester IUPAC Name: [(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitroethyl]cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1R)-2-[(1S)-1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]cyclohex-2-en-1-yl] ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC=C1C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)O[C@@H]1CCCC=C1[C@@H](C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO6/c1-11(19)24-15-5-3-2-4-13(15)14(9-18(20)21)12-6-7-16-17(8-12)23-10-22-16/h4,6-8,14-15H,2-3,5,9-10H2,1H3/t14-,15+/m0/s1