[(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R)-2-(1,3-benzodioxol-5-yloxy)cyclohexyl] ester Formula: C20H18N2O9 MolecularWeight: 430.36492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O9/c23-20(12-7-13(21(24)25)9-14(8-12)22(26)27)31-18-4-2-1-3-17(18)30-15-5-6-16-19(10-15)29-11-28-16/h5-10,17-18H,1-4,11H2/t17-,18-/m1/s1