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

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-3-propargyl-thiazolidine-2,4-quinone Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC#C

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC#C

InChI

InChI=1S/C14H10N2O6S/c1-3-4-15-13(18)11(23-14(15)19)7-8-5-9(16(20)21)12(17)10(6-8)22-2/h1,5-7,17H,4H2,2H3