1,3-dinitrooxypropan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 1,3-dinitrooxypropan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: [2-nitrooxy-1-(nitrooxymethyl)ethyl] 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-benzofurazan-4-yl-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid [2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C17H16N6O11 MolecularWeight: 480.34254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O11/c1-8-13(17(24)33-10(6-31-22(27)28)7-32-23(29)30)14(16(21(25)26)9(2)18-8)11-4-3-5-12-15(11)20-34-19-12/h3-5,10,14,18H,6-7H2,1-2H3