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

Systemtic Name: tert-butyl N-[(2S)-1-[2-(2-bromanyl-3,5-dinitro-phenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[2-(2-bromo-3,5-dinitro-phenyl)ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[2-(2-bromo-3,5-dinitro-phenyl)ethylamino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H25BrN4O7 MolecularWeight: 537.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CC(=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC2=CC(=CC(=C2Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25BrN4O7/c1-22(2,3)34-21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-10-9-15-12-16(26(30)31)13-18(19(15)23)27(32)33/h4-8,12-13,17H,9-11H2,1-3H3,(H,24,28)(H,25,29)/t17-/m0/s1