O5-(1,3-dinitrooxypropan-2-yl) O3-ethyl 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-ethyl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl 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-ethyl ester IUPAC Name: 5-O-(1,3-dinitrooxypropan-2-yl) 3-O-ethyl 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-ethyl ester O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C18H22N6O12 MolecularWeight: 514.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=NC=C(N2C)[N+](=O)[O-])C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C)C

InChI

InChI=1S/C18H22N6O12/c1-5-33-17(25)13-9(2)20-10(3)14(15(13)16-19-6-12(21(16)4)22(27)28)18(26)36-11(7-34-23(29)30)8-35-24(31)32/h6,11,15,20H,5,7-8H2,1-4H3