3-[nitro-(4-phenethylphenyl)methylidene]-2-benzofuran-1-one

Systemtic Name: 3-[nitro-(4-phenethylphenyl)methylidene]-2-benzofuran-1-one Openeye Name: 3-[nitro-(4-phenethylphenyl)methylene]isobenzofuran-1-one CAS Name: 3-[nitro-(4-phenethylphenyl)methylidene]-1-isobenzofuranone IUPAC Name: 3-[nitro-(4-phenethylphenyl)methylidene]-2-benzofuran-1-one Traditional Name: 3-[nitro-(4-phenethylphenyl)methylene]phthalide Formula: C23H17NO4 MolecularWeight: 371.38538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C23H17NO4/c25-23-20-9-5-4-8-19(20)22(28-23)21(24(26)27)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-9,12-15H,10-11H2