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

Systemtic Name: 2-methylpropyl 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6/c1-15(2)14-30-21(27)24-11-9-23(10-12-24)17-5-3-16(4-6-17)13-22-20(26)18-7-8-19(31-18)25(28)29/h3-8,15H,9-14H2,1-2H3,(H,22,26)