[(2R)-2-[(2R,6R)-6-phenyloxan-2-yl]propyl] 3,5-dinitrobenzoate

Systemtic Name: [(2R)-2-[(2R,6R)-6-phenyloxan-2-yl]propyl] 3,5-dinitrobenzoate Openeye Name: [(2R)-2-[(2R,6R)-6-phenyltetrahydropyran-2-yl]propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R)-2-[(2R,6R)-6-phenyl-2-oxanyl]propyl] ester IUPAC Name: [(2R)-2-[(2R,6R)-6-phenyloxan-2-yl]propyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2R)-2-[(2R,6R)-6-phenyltetrahydropyran-2-yl]propyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2CCCC(O2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[C@H]2CCC[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O7/c1-14(19-8-5-9-20(30-19)15-6-3-2-4-7-15)13-29-21(24)16-10-17(22(25)26)12-18(11-16)23(27)28/h2-4,6-7,10-12,14,19-20H,5,8-9,13H2,1H3/t14-,19-,20-/m1/s1