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

Systemtic Name: tert-butyl 2-[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]acetate CAS Name: 2-[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetate Traditional Name: 2-[(1R,2R,3S)-3-(1,3-benzodioxol-5-yl)-2-nitro-cyclohexyl]acetic acid tert-butyl ester Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6/c1-19(2,3)26-17(21)10-13-5-4-6-14(18(13)20(22)23)12-7-8-15-16(9-12)25-11-24-15/h7-9,13-14,18H,4-6,10-11H2,1-3H3/t13-,14+,18-/m1/s1