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

Systemtic Name: 2-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: 2-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]benzothiophen-3-one CAS Name: 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: 2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: 2-(2-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=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)C3=CC=CC=C3S2)O

InChI

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