4-[[(5Z)-5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[(5Z)-5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[(5Z)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[(5Z)-5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=CC(=C2O)OCC)[N+](=O)[O-])SC1=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=CC(=C2O)OCC)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O7S/c1-3-23-19(26)17(32-21(23)22-14-7-5-12(6-8-14)20(27)28)10-13-9-15(24(29)30)11-16(18(13)25)31-4-2/h5-11,25H,3-4H2,1-2H3,(H,27,28)/b17-10-,22-21?