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

Systemtic Name: ethyl 4-[2-fluoranyl-4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-fluoro-4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-fluoro-4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H21FN4O6 MolecularWeight: 420.391643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O6/c1-2-29-19(26)23-9-7-22(8-10-23)15-4-3-13(11-14(15)20)12-21-18(25)16-5-6-17(30-16)24(27)28/h3-6,11H,2,7-10,12H2,1H3,(H,21,25)