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

Systemtic Name: 5-[[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[(5Z)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[(5Z)-5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C17H11N3O7S MolecularWeight: 401.35014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])O)S2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/S2)C(=O)O)O

InChI

InChI=1S/C17H11N3O7S/c21-12-4-2-10(20(26)27)5-8(12)6-14-15(23)19-17(28-14)18-9-1-3-13(22)11(7-9)16(24)25/h1-7,21-22H,(H,24,25)(H,18,19,23)/b14-6-