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

Systemtic Name: tert-butyl N-[(2S)-1-[2-(2-bromanyl-3,5-dinitro-phenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[2-(2-bromo-3,5-dinitro-phenyl)ethylcarbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(2-bromo-3,5-dinitrophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[2-(2-bromo-3,5-dinitro-phenyl)ethylcarbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C18H25BrN4O7 MolecularWeight: 489.3177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O7/c1-10(2)15(21-17(25)30-18(3,4)5)16(24)20-7-6-11-8-12(22(26)27)9-13(14(11)19)23(28)29/h8-10,15H,6-7H2,1-5H3,(H,20,24)(H,21,25)/t15-/m0/s1