tert-butyl 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6/c1-21(2,3)31-20(27)24-12-10-23(11-13-24)16-6-4-15(5-7-16)14-22-19(26)17-8-9-18(30-17)25(28)29/h4-9H,10-14H2,1-3H3,(H,22,26)