O5-(1,3-dinitrooxypropan-2-yl) O3-propan-2-yl 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-propan-2-yl 2,6-dimethyl-4-(1-methyl-5-nitro-imidazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-isopropyl 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-propan-2-yl ester IUPAC Name: 5-O-(1,3-dinitrooxypropan-2-yl) 3-O-propan-2-yl 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-isopropyl ester O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C19H24N6O12 MolecularWeight: 528.42686

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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(C)C

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(C)C

InChI

InChI=1S/C19H24N6O12/c1-9(2)36-18(26)14-10(3)21-11(4)15(16(14)17-20-6-13(22(17)5)23(28)29)19(27)37-12(7-34-24(30)31)8-35-25(32)33/h6,9,12,16,21H,7-8H2,1-5H3