2-[1-(2-bromanyl-5-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine

Systemtic Name: 2-[1-(2-bromanyl-5-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(2-bromo-5-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(2-bromo-5-nitrophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(2-bromo-5-nitrophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(2-bromo-5-nitro-phenyl)-2-nitro-ethyl]thio]ethylamine Formula: C10H12BrN3O4S MolecularWeight: 350.18898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(C[N+](=O)[O-])SCCN)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(C[N+](=O)[O-])SCCN)Br

InChI

InChI=1S/C10H12BrN3O4S/c11-9-2-1-7(14(17)18)5-8(9)10(6-13(15)16)19-4-3-12/h1-2,5,10H,3-4,6,12H2