methyl 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]ethanoate

Systemtic Name: methyl 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]acetate CAS Name: 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetate Traditional Name: 2-[(1R,2S,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]acetic acid methyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCC(C1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C[C@H]1CCC[C@H]([C@H]1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19NO6/c1-21-15(18)8-11-3-2-4-12(16(11)17(19)20)10-5-6-13-14(7-10)23-9-22-13/h5-7,11-12,16H,2-4,8-9H2,1H3/t11-,12+,16+/m1/s1