2-[1-(4-chloranyl-3-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine

Systemtic Name: 2-[1-(4-chloranyl-3-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(4-chloro-3-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(4-chloro-3-nitrophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(4-chloro-3-nitrophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(4-chloro-3-nitro-phenyl)-2-nitro-ethyl]thio]ethylamine Formula: C10H12ClN3O4S MolecularWeight: 305.73798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C[N+](=O)[O-])SCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(C[N+](=O)[O-])SCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H12ClN3O4S/c11-8-2-1-7(5-9(8)14(17)18)10(6-13(15)16)19-4-3-12/h1-2,5,10H,3-4,6,12H2