tert-butyl [2-[4-[(4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-5-methyl-pyrazol-3-yl] carbonate

Systemtic Name: tert-butyl [2-[4-[(4-cyano-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-5-methyl-pyrazol-3-yl] carbonate Openeye Name: tert-butyl [2-[4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-5-methyl-pyrazol-3-yl] carbonate CAS Name: carbonic acid tert-butyl [2-[4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: tert-butyl [2-[4-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-5-methylpyrazol-3-yl] carbonate Traditional Name: carbonic acid tert-butyl [2-[4-[(4-cyano-5-oxido-furazan-5-ium-3-yl)methoxy]phenyl]-5-methyl-pyrazol-3-yl] ester Formula: C19H19N5O6 MolecularWeight: 413.38406

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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)OCC3=NO[N+](=C3C#N)[O-]

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)OC(C)(C)C)C2=CC=C(C=C2)OCC3=NO[N+](=C3C#N)[O-]

InChI

InChI=1S/C19H19N5O6/c1-12-9-17(28-18(25)29-19(2,3)4)23(21-12)13-5-7-14(8-6-13)27-11-15-16(10-20)24(26)30-22-15/h5-9H,11H2,1-4H3