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

Systemtic Name: (5E)-5-[(2-chloranyl-5-nitro-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-(2-chloro-5-nitro-benzylidene)-3-propargyl-thiazolidine-2,4-quinone Formula: C13H7ClN2O4S MolecularWeight: 322.72368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClN2O4S/c1-2-5-15-12(17)11(21-13(15)18)7-8-6-9(16(19)20)3-4-10(8)14/h1,3-4,6-7H,5H2/b11-7+