(2E)-2-[(3,5-dinitro-4-oxidanyl-phenyl)methylidene]-4-methyl-thiomorpholin-3-one

Systemtic Name: (2E)-2-[(3,5-dinitro-4-oxidanyl-phenyl)methylidene]-4-methyl-thiomorpholin-3-one Openeye Name: (2E)-2-[(4-hydroxy-3,5-dinitro-phenyl)methylene]-4-methyl-thiomorpholin-3-one CAS Name: (2E)-2-[(4-hydroxy-3,5-dinitrophenyl)methylidene]-4-methyl-3-thiomorpholinone IUPAC Name: (2E)-2-[(4-hydroxy-3,5-dinitrophenyl)methylidene]-4-methylthiomorpholin-3-one Traditional Name: (2E)-2-(4-hydroxy-3,5-dinitro-benzylidene)-4-methyl-thiomorpholin-3-one Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCSC(=CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C1=O

Isomeric SMILES

CN1CCS/C(=C/C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C12H11N3O6S/c1-13-2-3-22-10(12(13)17)6-7-4-8(14(18)19)11(16)9(5-7)15(20)21/h4-6,16H,2-3H2,1H3/b10-6+