O5-(1,3-dinitrooxypropan-2-yl) O3-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(1,3-dinitrooxypropan-2-yl) O3-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-isopropyl O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-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-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-isopropyl ester O5-[2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C22H24F3N3O10 MolecularWeight: 547.43527

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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=CC=CC=C2C(F)(F)F)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=CC=CC=C2C(F)(F)F)C(=O)OC(C)C

InChI

InChI=1S/C22H24F3N3O10/c1-11(2)37-20(29)17-12(3)26-13(4)18(19(17)15-7-5-6-8-16(15)22(23,24)25)21(30)38-14(9-35-27(31)32)10-36-28(33)34/h5-8,11,14,19,26H,9-10H2,1-4H3