2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; 1,3-dinitrooxypropan-2-yl nitrate

Systemtic Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; 1,3-dinitrooxypropan-2-yl nitrate Openeye Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 2,3-dinitrooxypropyl nitrate CAS Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; nitric acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 1,3-dinitrooxypropan-2-yl nitrate Traditional Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; nitric acid 2,3-dinitrooxypropyl ester Formula: C17H27N5O10 MolecularWeight: 461.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O.C3H5N3O9/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h7-9H,5-6,10H2,1-4H3,(H,15,17);3H,1-2H2