O5-(1,3-dinitrooxypropan-2-yl) O3-methyl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(1,3-dinitrooxypropan-2-yl) O3-methyl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-methyl-5-nitro-2-imidazolyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(1,3-dinitrooxypropan-2-yl) ester O3-methyl ester IUPAC Name: 5-O-(1,3-dinitrooxypropan-2-yl) 3-O-methyl 2,6-dimethyl-4-(1-methyl-5-nitroimidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C17H20N6O12 MolecularWeight: 500.3737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H20N6O12/c1-8-12(16(24)32-4)14(15-18-5-11(20(15)3)21(26)27)13(9(2)19-8)17(25)35-10(6-33-22(28)29)7-34-23(30)31/h5,10,14,19H,6-7H2,1-4H3