(2E)-2-[(5-bromanyl-3-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-2-[(5-bromanyl-3-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-2-[(5-bromo-2-hydroxy-3-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: (2E)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-2-(5-bromo-2-hydroxy-3-nitro-benzylidene)benzothiophen-3-one Formula: C15H8BrNO4S MolecularWeight: 378.19732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC(=C3O)[N+](=O)[O-])Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=CC(=C3O)[N+](=O)[O-])Br)/S2

InChI

InChI=1S/C15H8BrNO4S/c16-9-5-8(14(18)11(7-9)17(20)21)6-13-15(19)10-3-1-2-4-12(10)22-13/h1-7,18H/b13-6+