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

Systemtic Name: 3-[[(5Z)-5-[[3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-[3-bromo-4-(4-nitrobenzyl)oxy-benzylidene]-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C26H20BrN3O6S MolecularWeight: 582.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)SC1=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br)/SC1=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H20BrN3O6S/c1-2-29-24(31)23(37-26(29)28-19-5-3-4-18(14-19)25(32)33)13-17-8-11-22(21(27)12-17)36-15-16-6-9-20(10-7-16)30(34)35/h3-14H,2,15H2,1H3,(H,32,33)/b23-13-,28-26?