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

Systemtic Name: 3-[(4-ethylnaphthalen-1-yl)-nitro-methylidene]-2-benzofuran-1-one Openeye Name: 3-[(4-ethyl-1-naphthyl)-nitro-methylene]isobenzofuran-1-one CAS Name: 3-[(4-ethyl-1-naphthalenyl)-nitromethylidene]-1-isobenzofuranone IUPAC Name: 3-[(4-ethylnaphthalen-1-yl)-nitromethylidene]-2-benzofuran-1-one Traditional Name: 3-[(4-ethyl-1-naphthyl)-nitro-methylene]phthalide Formula: C21H15NO4 MolecularWeight: 345.3481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C2=CC=CC=C12)C(=C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C2=CC=CC=C12)C(=C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO4/c1-2-13-11-12-16(15-8-4-3-7-14(13)15)19(22(24)25)20-17-9-5-6-10-18(17)21(23)26-20/h3-12H,2H2,1H3