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

Systemtic Name: 5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]thiazolidine-2,4-dione CAS Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]thiazolidine-2,4-dione IUPAC Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)thiazolidine-2,4-quinone Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)S2)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)S2)O

InChI

InChI=1S/C12H10N2O6S/c1-2-20-8-5-7(14(18)19)3-6(10(8)15)4-9-11(16)13-12(17)21-9/h3-5,15H,2H2,1H3,(H,13,16,17)