1,3-dinitrooxypropan-2-yl nitrate; methyl 2-phenyl-2-piperidin-2-yl-ethanoate

Systemtic Name: 1,3-dinitrooxypropan-2-yl nitrate; methyl 2-phenyl-2-piperidin-2-yl-ethanoate Openeye Name: 2,3-dinitrooxypropyl nitrate; methyl 2-phenyl-2-(2-piperidyl)acetate CAS Name: nitric acid 1,3-dinitrooxypropan-2-yl ester; 2-phenyl-2-(2-piperidinyl)acetic acid methyl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl nitrate; methyl 2-phenyl-2-piperidin-2-ylacetate Traditional Name: nitric acid 2,3-dinitrooxypropyl ester; 2-phenyl-2-(2-piperidyl)acetic acid methyl ester Formula: C17H24N4O11 MolecularWeight: 460.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1)C2=CC=CC=C2.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C1CCCCN1)C2=CC=CC=C2.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C14H19NO2.C3H5N3O9/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;3H,1-2H2