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

Systemtic Name: 3-[(4-methylphenyl)-nitro-methylidene]-2-benzofuran-1-one Openeye Name: 3-[nitro(p-tolyl)methylene]isobenzofuran-1-one CAS Name: 3-[(4-methylphenyl)-nitromethylidene]-1-isobenzofuranone IUPAC Name: 3-[(4-methylphenyl)-nitromethylidene]-2-benzofuran-1-one Traditional Name: 3-[nitro(p-tolyl)methylene]phthalide Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO4/c1-10-6-8-11(9-7-10)14(17(19)20)15-12-4-2-3-5-13(12)16(18)21-15/h2-9H,1H3