tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methyl-pyrazol-3-yl] carbonate

Systemtic Name: tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methyl-pyrazol-3-yl] carbonate Openeye Name: tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methyl-pyrazol-3-yl] carbonate CAS Name: carbonic acid tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methylpyrazol-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [2-[4-(5,6-dinitrooxyhexoxy)phenyl]-5-methyl-pyrazol-3-yl] ester Formula: C21H28N4O10 MolecularWeight: 496.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O10/c1-15-13-19(33-20(26)34-21(2,3)4)23(22-15)16-8-10-17(11-9-16)31-12-6-5-7-18(35-25(29)30)14-32-24(27)28/h8-11,13,18H,5-7,12,14H2,1-4H3