tert-butyl N-(5-fluoranyl-2,4-dinitro-phenyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Systemtic Name: tert-butyl N-(5-fluoranyl-2,4-dinitro-phenyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Openeye Name: tert-butyl N-(tert-butoxycarbonylamino)-N-(5-fluoro-2,4-dinitro-phenyl)carbamate CAS Name: N-(5-fluoro-2,4-dinitrophenyl)-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-fluoro-2,4-dinitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Traditional Name: N-(tert-butoxycarbonylamino)-N-(5-fluoro-2,4-dinitro-phenyl)carbamic acid tert-butyl ester Formula: C16H21FN4O8 MolecularWeight: 416.358343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21FN4O8/c1-15(2,3)28-13(22)18-19(14(23)29-16(4,5)6)11-7-9(17)10(20(24)25)8-12(11)21(26)27/h7-8H,1-6H3,(H,18,22)