2-[(5-bromanyl-3-methoxy-2-nitro-4-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: 2-[(5-bromanyl-3-methoxy-2-nitro-4-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: 2-[(5-bromo-4-hydroxy-3-methoxy-2-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: 2-[(5-bromo-4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[(5-bromo-4-hydroxy-3-methoxy-2-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: 2-(5-bromo-4-hydroxy-3-methoxy-2-nitro-benzylidene)benzothiophen-3-one Formula: C16H10BrNO5S MolecularWeight: 408.2233

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1O)Br)C=C2C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1O)Br)C=C2C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrNO5S/c1-23-16-13(18(21)22)8(6-10(17)15(16)20)7-12-14(19)9-4-2-3-5-11(9)24-12/h2-7,20H,1H3