[3,5-bis(nitrooxymethyl)phenyl] N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamate

Systemtic Name: [3,5-bis(nitrooxymethyl)phenyl] N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamate Openeye Name: [3,5-bis(nitrooxymethyl)phenyl] N-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamate CAS Name: N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonylcarbamic acid [3,5-bis(nitrooxymethyl)phenyl] ester IUPAC Name: [3,5-bis(nitrooxymethyl)phenyl] N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamate Traditional Name: N-[4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamic acid [3,5-bis(nitrooxymethyl)phenyl] ester Formula: C26H20F3N5O10S MolecularWeight: 651.52471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)NC(=O)OC4=CC(=CC(=C4)CO[N+](=O)[O-])CO[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)NC(=O)OC4=CC(=CC(=C4)CO[N+](=O)[O-])CO[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C26H20F3N5O10S/c1-16-2-4-19(5-3-16)23-13-24(26(27,28)29)30-32(23)20-6-8-22(9-7-20)45(40,41)31-25(35)44-21-11-17(14-42-33(36)37)10-18(12-21)15-43-34(38)39/h2-13H,14-15H2,1H3,(H,31,35)