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

Systemtic Name: 3-[(4-ethoxyphenyl)-nitro-methylidene]-2-benzofuran-1-one Openeye Name: 3-[(4-ethoxyphenyl)-nitro-methylene]isobenzofuran-1-one CAS Name: 3-[(4-ethoxyphenyl)-nitromethylidene]-1-isobenzofuranone IUPAC Name: 3-[(4-ethoxyphenyl)-nitromethylidene]-2-benzofuran-1-one Traditional Name: 3-[nitro(p-phenetyl)methylene]phthalide Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO5/c1-2-22-12-9-7-11(8-10-12)15(18(20)21)16-13-5-3-4-6-14(13)17(19)23-16/h3-10H,2H2,1H3