2-[1-(2-chloranyl-5-nitro-phenyl)-2-nitro-propyl]sulfanylethanamine

Systemtic Name: 2-[1-(2-chloranyl-5-nitro-phenyl)-2-nitro-propyl]sulfanylethanamine Openeye Name: 2-[1-(2-chloro-5-nitro-phenyl)-2-nitro-propyl]sulfanylethanamine CAS Name: 2-[[1-(2-chloro-5-nitrophenyl)-2-nitropropyl]thio]ethanamine IUPAC Name: 2-[1-(2-chloro-5-nitrophenyl)-2-nitropropyl]sulfanylethanamine Traditional Name: 2-[[1-(2-chloro-5-nitro-phenyl)-2-nitro-propyl]thio]ethylamine Formula: C11H14ClN3O4S MolecularWeight: 319.76456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O4S/c1-7(14(16)17)11(20-5-4-13)9-6-8(15(18)19)2-3-10(9)12/h2-3,6-7,11H,4-5,13H2,1H3