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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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