tert-butyl 4-[4-[3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(5-nitro-2-furyl)-4,5-dihydroisoxazol-5-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[3-(5-nitro-2-furanyl)-4,5-dihydroisoxazol-5-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(5-nitrofuran-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[3-(5-nitro-2-furyl)-2-isoxazolin-5-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3CC(=NO3)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3CC(=NO3)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-22(2,3)31-21(27)25-12-10-24(11-13-25)16-6-4-15(5-7-16)19-14-17(23-32-19)18-8-9-20(30-18)26(28)29/h4-9,19H,10-14H2,1-3H3