tert-butyl N-[2-(2-bromanyl-3,5-dinitro-phenyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-bromanyl-3,5-dinitro-phenyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-bromo-3,5-dinitro-phenyl)ethyl]carbamate CAS Name: N-[2-(2-bromo-3,5-dinitrophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-bromo-3,5-dinitrophenyl)ethyl]carbamate Traditional Name: N-[2-(2-bromo-3,5-dinitro-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C13H16BrN3O6 MolecularWeight: 390.18664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O6/c1-13(2,3)23-12(18)15-5-4-8-6-9(16(19)20)7-10(11(8)14)17(21)22/h6-7H,4-5H2,1-3H3,(H,15,18)