3-butyl-5-[[3-chloranyl-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-butyl-5-[[3-chloranyl-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: 3-butyl-5-[[3-chloro-4-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione CAS Name: 3-butyl-5-[[3-chloro-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: 3-butyl-5-[[3-chloro-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: 3-butyl-5-[3-chloro-4-(3-nitrobenzyl)oxy-benzylidene]thiazolidine-2,4-quinone Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])Cl)SC1=O

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])Cl)SC1=O

InChI

InChI=1S/C21H19ClN2O5S/c1-2-3-9-23-20(25)19(30-21(23)26)12-14-7-8-18(17(22)11-14)29-13-15-5-4-6-16(10-15)24(27)28/h4-8,10-12H,2-3,9,13H2,1H3