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

Systemtic Name: methyl 2-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]acetate CAS Name: 2-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetate Traditional Name: 2-[(1R,2R)-2-(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)CC1CCCCC1(C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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