2-[(4-bromophenyl)amino]-5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(4-bromophenyl)amino]-5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(4-bromoanilino)-5-[(2-hydroxy-3,5-dinitro-phenyl)methylene]thiazol-4-one CAS Name: 2-(4-bromoanilino)-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-4-thiazolone IUPAC Name: 2-(4-bromoanilino)-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-bromoanilino)-5-(2-hydroxy-3,5-dinitro-benzylidene)-2-thiazolin-4-one Formula: C16H9BrN4O6S MolecularWeight: 465.23486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=O)C(=CC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])S2)Br

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=O)C(=CC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])S2)Br

InChI

InChI=1S/C16H9BrN4O6S/c17-9-1-3-10(4-2-9)18-16-19-15(23)13(28-16)6-8-5-11(20(24)25)7-12(14(8)22)21(26)27/h1-7,22H,(H,18,19,23)