3-[(3,5-dimethylphenyl)-nitro-methylidene]-2-benzofuran-1-one

Systemtic Name: 3-[(3,5-dimethylphenyl)-nitro-methylidene]-2-benzofuran-1-one Openeye Name: 3-[(3,5-dimethylphenyl)-nitro-methylene]isobenzofuran-1-one CAS Name: 3-[(3,5-dimethylphenyl)-nitromethylidene]-1-isobenzofuranone IUPAC Name: 3-[(3,5-dimethylphenyl)-nitromethylidene]-2-benzofuran-1-one Traditional Name: 3-[(3,5-dimethylphenyl)-nitro-methylene]phthalide Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C

InChI

InChI=1S/C17H13NO4/c1-10-7-11(2)9-12(8-10)15(18(20)21)16-13-5-3-4-6-14(13)17(19)22-16/h3-9H,1-2H3