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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C)O

InChI

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