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

Systemtic Name: (2E)-2-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-2-[(3-bromo-2-hydroxy-5-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: (2E)-2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-2-(3-bromo-2-hydroxy-5-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)Br)[N+](=O)[O-])S2

Isomeric SMILES

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

InChI

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