4-[[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[(5Z)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[(5Z)-5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C17H11N3O6S MolecularWeight: 385.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])O)S2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2

InChI

InChI=1S/C17H11N3O6S/c21-13-6-5-12(20(25)26)7-10(13)8-14-15(22)19-17(27-14)18-11-3-1-9(2-4-11)16(23)24/h1-8,21H,(H,23,24)(H,18,19,22)/b14-8-