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

Systemtic Name: 4-[[(5Z)-3-ethyl-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[(5Z)-3-ethyl-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[(5Z)-3-ethyl-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[(5Z)-3-ethyl-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[(5Z)-3-ethyl-5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7S/c1-3-22-18(25)16(9-12-8-14(23(28)29)10-15(30-2)17(12)24)31-20(22)21-13-6-4-11(5-7-13)19(26)27/h4-10,24H,3H2,1-2H3,(H,26,27)/b16-9-,21-20?