2-[1-(4-chlorophenyl)-2-nitro-propyl]sulfanylethanamine

Systemtic Name: 2-[1-(4-chlorophenyl)-2-nitro-propyl]sulfanylethanamine Openeye Name: 2-[1-(4-chlorophenyl)-2-nitro-propyl]sulfanylethanamine CAS Name: 2-[[1-(4-chlorophenyl)-2-nitropropyl]thio]ethanamine IUPAC Name: 2-[1-(4-chlorophenyl)-2-nitropropyl]sulfanylethanamine Traditional Name: 2-[[1-(4-chlorophenyl)-2-nitro-propyl]thio]ethylamine Formula: C11H15ClN2O2S MolecularWeight: 274.767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN2O2S/c1-8(14(15)16)11(17-7-6-13)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7,13H2,1H3