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

Systemtic Name: 2-[1-(2-methoxy-5-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(2-methoxy-5-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(2-methoxy-5-nitrophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(2-methoxy-5-nitrophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(2-methoxy-5-nitro-phenyl)-2-nitro-ethyl]thio]ethylamine Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(C[N+](=O)[O-])SCCN

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(C[N+](=O)[O-])SCCN

InChI

InChI=1S/C11H15N3O5S/c1-19-10-3-2-8(14(17)18)6-9(10)11(7-13(15)16)20-5-4-12/h2-3,6,11H,4-5,7,12H2,1H3