1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-thiomorpholin-4-yl-ethanone

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-thiomorpholin-4-yl-ethanone Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-thiomorpholino-ethanone CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-thiomorpholin-4-ylethanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-thiomorpholin-4-ylethanone Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-2-thiomorpholino-ethanone Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c15-10-6-8(5-9(12(10)17)14(18)19)11(16)7-13-1-3-20-4-2-13/h5-6,15,17H,1-4,7H2