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

Systemtic Name: 2-[1-(4-methyl-2-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine Openeye Name: 2-[1-(4-methyl-2-nitro-phenyl)-2-nitro-ethyl]sulfanylethanamine CAS Name: 2-[[1-(4-methyl-2-nitrophenyl)-2-nitroethyl]thio]ethanamine IUPAC Name: 2-[1-(4-methyl-2-nitrophenyl)-2-nitroethyl]sulfanylethanamine Traditional Name: 2-[[1-(4-methyl-2-nitro-phenyl)-2-nitro-ethyl]thio]ethylamine Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C[N+](=O)[O-])SCCN)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C[N+](=O)[O-])SCCN)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c1-8-2-3-9(10(6-8)14(17)18)11(7-13(15)16)19-5-4-12/h2-3,6,11H,4-5,7,12H2,1H3