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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

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