3-[[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5E)-5-[(5-nitro-2-furyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5E)-5-[(5-nitro-2-furanyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5E)-4-keto-5-[(5-nitro-2-furyl)methylene]-2-thiazolin-2-yl]amino]benzoic acid Formula: C15H9N3O6S MolecularWeight: 359.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])S2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/S2)C(=O)O

InChI

InChI=1S/C15H9N3O6S/c19-13-11(7-10-4-5-12(24-10)18(22)23)25-15(17-13)16-9-3-1-2-8(6-9)14(20)21/h1-7H,(H,20,21)(H,16,17,19)/b11-7+