(5E)-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[(2-hydroxy-3-nitro-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: (5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: (5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-(2-hydroxy-3-nitro-benzylidene)-3-propargyl-thiazolidine-2,4-quinone Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=CC2=C(C(=CC=C2)[N+](=O)[O-])O)SC1=O

Isomeric SMILES

C#CCN1C(=O)/C(=C\C2=C(C(=CC=C2)[N+](=O)[O-])O)/SC1=O

InChI

InChI=1S/C13H8N2O5S/c1-2-6-14-12(17)10(21-13(14)18)7-8-4-3-5-9(11(8)16)15(19)20/h1,3-5,7,16H,6H2/b10-7+