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

Systemtic Name: 2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: 2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: 2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)benzothiophen-3-one Formula: C16H11NO5S MolecularWeight: 329.32724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO5S/c1-22-12-7-9(6-11(16(12)19)17(20)21)8-14-15(18)10-4-2-3-5-13(10)23-14/h2-8,19H,1H3