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

Systemtic Name: 2-[[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[(5Z)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[(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=C1[N+](=O)[O-])C=C2C(=O)N=C(S2)NC3=C(C=C(C=C3)O)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])/C=C\2/C(=O)N=C(S2)NC3=C(C=C(C=C3)O)C(=O)O)O

InChI

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