tert-butyl N-[(2S)-1-[2-(2-bromanyl-3,5-dinitro-phenyl)ethylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[2-(2-bromanyl-3,5-dinitro-phenyl)ethylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(2-bromo-3,5-dinitro-phenyl)ethylamino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[2-(2-bromo-3,5-dinitro-phenyl)ethylamino]-2-keto-1-methylol-ethyl]carbamic acid tert-butyl ester Formula: C16H21BrN4O8 MolecularWeight: 477.26394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CO)C(=O)NCCC1=CC(=CC(=C1Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCC1=CC(=CC(=C1Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H21BrN4O8/c1-16(2,3)29-15(24)19-11(8-22)14(23)18-5-4-9-6-10(20(25)26)7-12(13(9)17)21(27)28/h6-7,11,22H,4-5,8H2,1-3H3,(H,18,23)(H,19,24)/t11-/m0/s1