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

Systemtic Name: (3E)-4-methoxy-3-[(2-nitro-5-oxidanyl-phenyl)methylidene]-2-benzofuran-1-one Openeye Name: (3E)-3-[(5-hydroxy-2-nitro-phenyl)methylene]-4-methoxy-isobenzofuran-1-one CAS Name: (3E)-3-[(5-hydroxy-2-nitrophenyl)methylidene]-4-methoxy-1-isobenzofuranone IUPAC Name: (3E)-3-[(5-hydroxy-2-nitrophenyl)methylidene]-4-methoxy-2-benzofuran-1-one Traditional Name: (3E)-3-(5-hydroxy-2-nitro-benzylidene)-4-methoxy-phthalide Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CC3=C(C=CC(=C3)O)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC1=CC=CC2=C1/C(=C\C3=C(C=CC(=C3)O)[N+](=O)[O-])/OC2=O

InChI

InChI=1S/C16H11NO6/c1-22-13-4-2-3-11-15(13)14(23-16(11)19)8-9-7-10(18)5-6-12(9)17(20)21/h2-8,18H,1H3/b14-8+